CAS RN: 5655-99-2
CAS Name: 1-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(phenylmethyl)thiourea
OPENEYE Name: 1-benzyl-3-[(3-hydroxy-4-methoxy-phenyl)methyleneamino]thiourea
IUPAC Name: 1-benzyl-3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(4-methoxy-3-oxidanyl-phenyl)methylideneamino]-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C16H17N3O2S
MOLECULAR WEIGHT: 315.39008
SMILES: COC1=C(C=C(C=C1)C=NNC(=S)NCC2=CC=CC=C2)O
Structure:
CAS RN: 21319-05-1
CAS Name: 3-[[oxo-[2-[[(6-oxo-3,7-dihydropurin-8-yl)thio]methyl]anilino]methyl]amino]benzenesulfonyl fluoride
OPENEYE Name: 3-[[2-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
IUPAC Name: 3-[[2-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
SYSTEMATIC NAME: 3-[[2-[(6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
MOLECULAR FORMULA: C19H15FN6O4S2
MOLECULAR WEIGHT: 474.488603
SMILES: C1=CC=C(C(=C1)CSC2=NC3=C(N2)C(=O)N=CN3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F
Structure:
CAS RN: 5192-33-6
CAS Name: 3-[[oxo-[2-[[(6-oxo-3,7-dihydropurin-8-yl)thio]methyl]anilino]methyl]amino]benzenesulfonyl fluoride
OPENEYE Name: 3-[[2-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
IUPAC Name: 3-[[2-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
SYSTEMATIC NAME: 3-[[2-[(6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
MOLECULAR FORMULA: C19H15FN6O4S2
MOLECULAR WEIGHT: 474.488603
SMILES: C1=CC=C(C(=C1)CSC2=NC3=C(N2)C(=O)N=CN3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F
Structure:
CAS RN: 4809-65-8
CAS Name: 3-(3-methylbutyl)-5-[[1-methyl-4-(4-methyl-1-piperidinyl)-2-oxo-3-quinolinyl]methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-isopentyl-5-[[1-methyl-4-(4-methyl-1-piperidyl)-2-oxo-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-(3-methylbutyl)-5-[[1-methyl-4-(4-methylpiperidin-1-yl)-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-(3-methylbutyl)-5-[[1-methyl-4-(4-methylpiperidin-1-yl)-2-oxidanylidene-quinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C25H31N3O2S2
MOLECULAR WEIGHT: 469.66254
SMILES: CC1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)C=C4C(=O)N(C(=S)S4)CCC(C)C
Structure:
CAS RN: 5551-50-8
CAS Name: N-[4-(dimethylsulfamoyl)phenyl]-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]acetamide
OPENEYE Name: N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-acetamide
IUPAC Name: N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[4-(dimethylsulfamoyl)phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C24H24N4O4S2
MOLECULAR WEIGHT: 496.60176
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC
Structure:
CAS RN: 5518-61-6
CAS Name: N-(4-bromo-2-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide
OPENEYE Name: N-(4-bromo-2-chloro-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide
IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(4-bromanyl-2-chloranyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C14H13BrClN3OS
MOLECULAR WEIGHT: 386.69452
SMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)Br)Cl)C
Structure:
CAS RN: 4525-22-8
CAS Name: N-[methyl-(4-propan-2-ylphenoxy)phosphoryl]-4-(4-nitrophenyl)-1-piperazinamine
OPENEYE Name: N-[(4-isopropylphenoxy)-methyl-phosphoryl]-4-(4-nitrophenyl)piperazin-1-amine
IUPAC Name: N-[methyl-(4-propan-2-ylphenoxy)phosphoryl]-4-(4-nitrophenyl)piperazin-1-amine
SYSTEMATIC NAME: N-[methyl-(4-propan-2-ylphenoxy)phosphoryl]-4-(4-nitrophenyl)piperazin-1-amine
MOLECULAR FORMULA: C20H27N4O4P
MOLECULAR WEIGHT: 418.426541
SMILES: CC(C)C1=CC=C(C=C1)OP(=O)(C)NN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 7226-61-1
CAS Name: dioxonium; azanide; 2-(3-carboxy-2-piperidin-1-idyl)-3,6-dihydro-2H-pyridin-1-ide-3-carboxylic acid; cobalt(2+)
OPENEYE Name: dicobaltous; dioxonium; azanide; 2-(3-carboxypiperidin-1-id-2-yl)-3,6-dihydro-2H-pyridin-1-ide-3-carboxylic acid
IUPAC Name: dioxidanium; azanide; 2-(3-carboxypiperidin-1-id-2-yl)-3,6-dihydro-2H-pyridin-1-ide-3-carboxylic acid; cobalt(2+)
SYSTEMATIC NAME: dioxidanium; azanide; 2-(3-carboxypiperidin-1-id-2-yl)-3,6-dihydro-2H-pyridin-1-ide-3-carboxylic acid; cobalt(2+)
MOLECULAR FORMULA: C12H26Co2N4O6+2
MOLECULAR WEIGHT: 440.22444
SMILES: C1CC(C([N-]C1)C2C(C=CC[N-]2)C(=O)O)C(=O)O.[NH2-].[NH2-].[OH3+].[OH3+].[Co+2].[Co+2]
Structure:
CAS RN: 5683-86-3
CAS Name: [3',3'-bis(4-methylphenyl)-4-phenyl-2-spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]yl]-phenylmethanone
OPENEYE Name: phenyl-[4-phenyl-3',3'-bis(p-tolyl)spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-yl]methanone
IUPAC Name: [3',3'-bis(4-methylphenyl)-4-phenylspiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-yl]-phenylmethanone
SYSTEMATIC NAME: [3',3'-bis(4-methylphenyl)-4-phenyl-spiro[1,3,4-thiadiazole-5,1'-2-benzothiophene]-2-yl]-phenyl-methanone
MOLECULAR FORMULA: C36H28N2OS2
MOLECULAR WEIGHT: 568.75032
SMILES: CC1=CC=C(C=C1)C2(C3=CC=CC=C3C4(S2)N(N=C(S4)C(=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C
Structure:
CAS RN: 4808-55-3
CAS Name: 2-[[cyclopentyl(thiophen-2-ylmethyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid
OPENEYE Name: 2-[cyclopentyl(2-thienylmethyl)carbamoyl]cyclohexanecarboxylic acid
IUPAC Name: 2-[cyclopentyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 2-[cyclopentyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C18H25NO3S
MOLECULAR WEIGHT: 335.461
SMILES: C1CCC(C1)N(CC2=CC=CS2)C(=O)C3CCCCC3C(=O)O
Structure:
CAS RN: 4574-43-0
CAS Name: 7-ethyl-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-ethyl-8-[(2-hydroxy-2-phenyl-ethyl)amino]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-ethyl-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-ethyl-1,3-dimethyl-8-[(2-oxidanyl-2-phenyl-ethyl)amino]purine-2,6-dione
MOLECULAR FORMULA: C17H21N5O3
MOLECULAR WEIGHT: 343.38034
SMILES: CCN1C2=C(N=C1NCC(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C
Structure:
CAS RN: 5446-55-9
CAS Name: 1-phenyl-3-(1-piperidinyl)thiourea
OPENEYE Name: 1-phenyl-3-(1-piperidyl)thiourea
IUPAC Name: 1-phenyl-3-piperidin-1-ylthiourea
SYSTEMATIC NAME: 1-phenyl-3-piperidin-1-yl-thiourea
MOLECULAR FORMULA: C12H17N3S
MOLECULAR WEIGHT: 235.34848
SMILES: C1CCN(CC1)NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 5008-51-5
CAS Name: 4-[1-piperazinyl(thiophen-2-yl)methyl]quinoline
OPENEYE Name: 4-[piperazin-1-yl(2-thienyl)methyl]quinoline
IUPAC Name: 4-[piperazin-1-yl(thiophen-2-yl)methyl]quinoline
SYSTEMATIC NAME: 4-[piperazin-1-yl(thiophen-2-yl)methyl]quinoline
MOLECULAR FORMULA: C18H19N3S
MOLECULAR WEIGHT: 309.42856
SMILES: C1CN(CCN1)C(C2=CC=NC3=CC=CC=C23)C4=CC=CS4
Structure:
CAS RN: 5884-99-1
CAS Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)hexanamide
OPENEYE Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-N-(2-methoxyethyl)hexanamide
IUPAC Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)hexanamide
SYSTEMATIC NAME: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)hexanamide
MOLECULAR FORMULA: C25H38N4O3
MOLECULAR WEIGHT: 442.59422
SMILES: CCCCCC(=O)N(CCOC)CC(=O)NC1=CC(=NN1C2=CC=CC=C2C)C(C)(C)C
Structure:
CAS RN: 5534-04-3
CAS Name: 4-[2-[[5-(4-fluorophenyl)-2-furanyl]methylidene]hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
OPENEYE Name: 4-[2-[[5-(4-fluorophenyl)-2-furyl]methylene]hydrazino]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide
IUPAC Name: 4-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
SYSTEMATIC NAME: 4-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide
MOLECULAR FORMULA: C24H19FN4O6S
MOLECULAR WEIGHT: 510.494263
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)F)[N+](=O)[O-]
Structure:
CAS RN: 5973-21-7
CAS Name: N-butyl-2-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-4-thiazolecarboxamide
OPENEYE Name: N-butyl-2-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]thiazole-4-carboxamide
IUPAC Name: N-butyl-2-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-butyl-2-[(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C18H21N3O3S
MOLECULAR WEIGHT: 359.44264
SMILES: CCCCNC(=O)C1=CSC(=N1)CN2C(=O)COC3=C2C=CC(=C3)C
Structure:
CAS RN: 5683-25-0
CAS Name: [1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene]-(2-methyl-3-imidazo[1,2-a]pyridinyl)methanolate
OPENEYE Name: [1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
IUPAC Name: [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
SYSTEMATIC NAME: [1-[2-(diethylazaniumyl)ethyl]-4,5-bis(oxidanylidene)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
MOLECULAR FORMULA: C28H34N4O6
MOLECULAR WEIGHT: 522.59276
SMILES: CC[NH+](CC)CCN1C(C(=C(C2=C(N=C3N2C=CC=C3)C)[O-])C(=O)C1=O)C4=CC(=C(C(=C4)OC)OC)OC
Structure:
CAS RN: 5674-66-8
CAS Name: 4-[[3-[4-(diethylammonio)phenyl]-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-2-methoxyphenolate
OPENEYE Name: 4-[[3-[4-(diethylammonio)phenyl]-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenolate
IUPAC Name: 4-[[3-[4-(diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenolate
SYSTEMATIC NAME: 4-[[3-[4-(diethylazaniumyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxy-phenolate
MOLECULAR FORMULA: C21H22N2O3S2
MOLECULAR WEIGHT: 414.54098
SMILES: CC[NH+](CC)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)[O-])OC)SC2=S
Structure:
CAS RN: 5308-92-9
CAS Name: 4-butylbenzoic acid [8-[(4-butylphenyl)-oxomethoxy]-4,5-bis[[(4-butylphenyl)-oxomethyl]amino]-9,10-dioxo-1-anthracenyl] ester
OPENEYE Name: [4,5-bis[(4-butylbenzoyl)amino]-8-(4-butylbenzoyl)oxy-9,10-dioxo-1-anthryl] 4-butylbenzoate
IUPAC Name: [4,5-bis[(4-butylbenzoyl)amino]-8-(4-butylbenzoyl)oxy-9,10-dioxoanthracen-1-yl] 4-butylbenzoate
SYSTEMATIC NAME: [4,5-bis[(4-butylphenyl)carbonylamino]-8-(4-butylphenyl)carbonyloxy-9,10-bis(oxidanylidene)anthracen-1-yl] 4-butylbenzoate
MOLECULAR FORMULA: C58H58N2O8
MOLECULAR WEIGHT: 911.08972
SMILES: CCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)OC(=O)C4=CC=C(C=C4)CCCC)C(=O)C5=C(C=CC(=C5C3=O)NC(=O)C6=CC=C(C=C6)CCCC)OC(=O)C7=CC=C(C=C7)CCCC
Structure:
CAS RN: 7226-60-0
CAS Name: dioxonium; 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide-1-carboxylic acid; 3,8a-dihydro-1H-isoquinolin-2-ide-1-carboxylic acid; nickel(2+)
OPENEYE Name: nickelous; dioxonium; 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide-1-carboxylic acid; 3,8a-dihydro-1H-isoquinolin-2-ide-1-carboxylic acid
IUPAC Name: dioxidanium; 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide-1-carboxylic acid; 3,8a-dihydro-1H-isoquinolin-2-ide-1-carboxylic acid; nickel(2+)
SYSTEMATIC NAME: dioxidanium; 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide-1-carboxylic acid; 3,8a-dihydro-1H-isoquinolin-2-ide-1-carboxylic acid; nickel(2+)
MOLECULAR FORMULA: C20H32N2NiO6+2
MOLECULAR WEIGHT: 455.17128
SMILES: C1CCC2C(C1)CC[N-]C2C(=O)O.C1C=C2C=CC=CC2C([N-]1)C(=O)O.[OH3+].[OH3+].[Ni+2]
Structure:
CAS RN: 7226-58-6
CAS Name: oxepane-3,4,5,6-tetrol
OPENEYE Name: oxepane-3,4,5,6-tetrol
IUPAC Name: oxepane-3,4,5,6-tetrol
SYSTEMATIC NAME: oxepane-3,4,5,6-tetrol
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 164.15648
SMILES: C1C(C(C(C(CO1)O)O)O)O
Structure:
CAS RN: 5443-22-1
CAS Name: 5-[[2-ethoxy-4-[[1-[2-(4-methoxyanilino)-2-oxoethyl]-2,5-dioxo-4-imidazolidinylidene]methyl]phenoxy]methyl]-2-furancarboxylic acid
OPENEYE Name: 5-[[2-ethoxy-4-[[1-[2-(4-methoxyanilino)-2-oxo-ethyl]-2,5-dioxo-imidazolidin-4-ylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
IUPAC Name: 5-[[2-ethoxy-4-[[1-[2-(4-methoxyanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
SYSTEMATIC NAME: 5-[[2-ethoxy-4-[[1-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
MOLECULAR FORMULA: C27H25N3O9
MOLECULAR WEIGHT: 535.5021
SMILES: CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC)OCC4=CC=C(O4)C(=O)O
Structure:
CAS RN: 4583-66-8
CAS Name: 1-(1-cyclopentyl-5,5-dimethyl-2-oxo-3-phenyl-4-imidazolidinyl)-1-hydroxy-3-phenylurea
OPENEYE Name: 1-(1-cyclopentyl-5,5-dimethyl-2-oxo-3-phenyl-imidazolidin-4-yl)-1-hydroxy-3-phenyl-urea
IUPAC Name: 1-(1-cyclopentyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylurea
SYSTEMATIC NAME: 1-(1-cyclopentyl-5,5-dimethyl-2-oxidanylidene-3-phenyl-imidazolidin-4-yl)-1-oxidanyl-3-phenyl-urea
MOLECULAR FORMULA: C23H28N4O3
MOLECULAR WEIGHT: 408.49342
SMILES: CC1(C(N(C(=O)N1C2CCCC2)C3=CC=CC=C3)N(C(=O)NC4=CC=CC=C4)O)C
Structure:
CAS RN: 4583-05-5
CAS Name: 5-amino-2-(aminomethyl)-6-[[5-[3,5-diamino-2-[[5-amino-2-(aminomethyl)-4,6-dihydroxy-3-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol
OPENEYE Name: 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[5-amino-2-(aminomethyl)-4,6-dihydroxy-tetrahydropyran-3-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol
IUPAC Name: 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[5-amino-2-(aminomethyl)-4,6-dihydroxyoxan-3-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
SYSTEMATIC NAME: 2-(aminomethyl)-6-[5-[2-[2-(aminomethyl)-5-azanyl-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(azanyl)-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-5-azanyl-oxane-3,4-diol
MOLECULAR FORMULA: C23H46N6O13
MOLECULAR WEIGHT: 614.64374
SMILES: C1C(C(C(C(C1N)OC2C(OC(C(C2O)N)O)CN)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
Structure:
CAS RN: 4550-45-2
CAS Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methylbenzamide
OPENEYE Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-benzamide
IUPAC Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide
SYSTEMATIC NAME: N-[[3-chloranyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-benzamide
MOLECULAR FORMULA: C25H20ClF5N4OS
MOLECULAR WEIGHT: 554.962516
SMILES: CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C4=C(C(=C(C(=C4F)F)F)F)F)Cl
Structure:
CAS RN: 5369-41-5
CAS Name: 2-[5-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide
OPENEYE Name: 2-[5-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide
IUPAC Name: 2-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-[5-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethanamide
MOLECULAR FORMULA: C24H29N5O2S
MOLECULAR WEIGHT: 451.58436
SMILES: CCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2C)C)CC(=O)NC3=CC(=C(C=C3)C)C
Structure:
CAS RN: 6020-67-3
CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester
OPENEYE Name: [3-[[isobutyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
IUPAC Name: [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
SYSTEMATIC NAME: [3-[[2-methylpropyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate
MOLECULAR FORMULA: C22H22FNO4S2
MOLECULAR WEIGHT: 447.542783
SMILES: CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CS3
Structure:
CAS RN: 6020-06-0
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[butan-2-yl-(2-chloro-1-oxopropyl)amino]methyl]phenyl] ester
OPENEYE Name: [3-[[2-chloropropanoyl(sec-butyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
IUPAC Name: [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: [3-[[butan-2-yl(2-chloranylpropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C21H23ClF3NO4S
MOLECULAR WEIGHT: 477.92483
SMILES: CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C(C)Cl
Structure:
CAS RN: 6570-97-4
CAS Name: 2,6-bis[(3-methylphenyl)methylidene]-4-propyl-1-cyclohexanone
OPENEYE Name: 2,6-bis(m-tolylmethylene)-4-propyl-cyclohexanone
IUPAC Name: 2,6-bis[(3-methylphenyl)methylidene]-4-propylcyclohexan-1-one
SYSTEMATIC NAME: 2,6-bis[(3-methylphenyl)methylidene]-4-propyl-cyclohexan-1-one
MOLECULAR FORMULA: C25H28O
MOLECULAR WEIGHT: 344.48922
SMILES: CCCC1CC(=CC2=CC(=CC=C2)C)C(=O)C(=CC3=CC(=CC=C3)C)C1
Structure:
CAS RN: 4068-80-8
CAS Name: N-(2-fluoro-4-hydroxyphenyl)ethanesulfonamide
OPENEYE Name: N-(2-fluoro-4-hydroxy-phenyl)ethanesulfonamide
IUPAC Name: N-(2-fluoro-4-hydroxyphenyl)ethanesulfonamide
SYSTEMATIC NAME: N-(2-fluoranyl-4-oxidanyl-phenyl)ethanesulfonamide
MOLECULAR FORMULA: C8H10FNO3S
MOLECULAR WEIGHT: 219.233303
SMILES: CCS(=O)(=O)NC1=C(C=C(C=C1)O)F
Structure:
CAS RN: 6543-37-9
CAS Name: 5-nitro-2-furancarboxylic acid [2-[(dimethylamino)methyl]cyclohexyl] ester
OPENEYE Name: [2-[(dimethylamino)methyl]cyclohexyl] 5-nitrofuran-2-carboxylate
IUPAC Name: [2-[(dimethylamino)methyl]cyclohexyl] 5-nitrofuran-2-carboxylate
SYSTEMATIC NAME: [2-[(dimethylamino)methyl]cyclohexyl] 5-nitrofuran-2-carboxylate
MOLECULAR FORMULA: C14H20N2O5
MOLECULAR WEIGHT: 296.319
SMILES: CN(C)CC1CCCCC1OC(=O)C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 6120-90-7
CAS Name: 5-[(4-butan-2-yloxy-3-ethoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-(3,4-dimethylphenyl)-5-[(3-ethoxy-4-sec-butoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(4-butan-2-yloxy-3-ethoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(4-butan-2-yloxy-3-ethoxy-phenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C24H27NO3S2
MOLECULAR WEIGHT: 441.60608
SMILES: CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)C)C)OCC
Structure:
CAS RN: 6384-75-4
CAS Name: 2-[[[2-(4-acetyloxyphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]-5-hydroxybenzoic acid
OPENEYE Name: 2-[[2-(4-acetoxyphenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]-5-hydroxy-benzoic acid
IUPAC Name: 2-[[2-(4-acetyloxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-5-hydroxybenzoic acid
SYSTEMATIC NAME: 2-[[2-(4-acetyloxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-5-oxidanyl-benzoic acid
MOLECULAR FORMULA: C24H16N2O8
MOLECULAR WEIGHT: 460.39244
SMILES: CC(=O)OC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)O)C(=O)O
Structure:
CAS RN: 6384-14-1
CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-N-methyl-1,3-benzothiazole-6-carboxamide
OPENEYE Name: 2-(cyclohexanecarbonylamino)-N-methyl-1,3-benzothiazole-6-carboxamide
IUPAC Name: 2-(cyclohexanecarbonylamino)-N-methyl-1,3-benzothiazole-6-carboxamide
SYSTEMATIC NAME: 2-(cyclohexylcarbonylamino)-N-methyl-1,3-benzothiazole-6-carboxamide
MOLECULAR FORMULA: C16H19N3O2S
MOLECULAR WEIGHT: 317.40596
SMILES: CNC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3
Structure:
CAS RN: 6829-99-8
CAS Name: 2-chloro-5-[5-[(6-ethoxycarbonyl-7-methyl-3-oxo-5-thiophen-2-yl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]-2-furanyl]benzoate
OPENEYE Name: 2-chloro-5-[5-[[6-ethoxycarbonyl-7-methyl-3-oxo-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2-furyl]benzoate
IUPAC Name: 2-chloro-5-[5-[(6-ethoxycarbonyl-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]furan-2-yl]benzoate
SYSTEMATIC NAME: 2-chloranyl-5-[5-[(6-ethoxycarbonyl-7-methyl-3-oxidanylidene-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]furan-2-yl]benzoate
MOLECULAR FORMULA: C26H18ClN2O6S2-
MOLECULAR WEIGHT: 554.01392
SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)[O-])S2)C
Structure:
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