CAS RN: 6430-82-6
CAS Name: 3-[2-[2-[(3,5-dichloro-2-methoxyphenyl)methylidene]hydrazinyl]-4-thiazolyl]-1-benzopyran-2-one
OPENEYE Name: 3-[2-[2-[(3,5-dichloro-2-methoxy-phenyl)methylene]hydrazino]thiazol-4-yl]chromen-2-one
IUPAC Name: 3-[2-[2-[(3,5-dichloro-2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
SYSTEMATIC NAME: 3-[2-[2-[[3,5-bis(chloranyl)-2-methoxy-phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
MOLECULAR FORMULA: C20H13Cl2N3O3S
MOLECULAR WEIGHT: 446.30652
SMILES: COC1=C(C=C(C=C1C=NNC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)Cl)Cl
Structure:
CAS RN: 6374-16-9
CAS Name: 1-[2,5-dimethyl-4-(1-oxo-2-phenylbutyl)-1-piperazinyl]-2-phenyl-1-butanone
OPENEYE Name: 1-[2,5-dimethyl-4-(2-phenylbutanoyl)piperazin-1-yl]-2-phenyl-butan-1-one
IUPAC Name: 1-[2,5-dimethyl-4-(2-phenylbutanoyl)piperazin-1-yl]-2-phenylbutan-1-one
SYSTEMATIC NAME: 1-[2,5-dimethyl-4-(2-phenylbutanoyl)piperazin-1-yl]-2-phenyl-butan-1-one
MOLECULAR FORMULA: C26H34N2O2
MOLECULAR WEIGHT: 406.56036
SMILES: CCC(C1=CC=CC=C1)C(=O)N2CC(N(CC2C)C(=O)C(CC)C3=CC=CC=C3)C
Structure:
CAS RN: 6371-71-7
CAS Name: N,N'-bis(pentan-2-ylideneamino)hexanediamide
OPENEYE Name: N,N'-bis(1-methylbutylideneamino)hexanediamide
IUPAC Name: N,N'-bis(pentan-2-ylideneamino)hexanediamide
SYSTEMATIC NAME: N,N'-bis(pentan-2-ylideneamino)hexanediamide
MOLECULAR FORMULA: C16H30N4O2
MOLECULAR WEIGHT: 310.435
SMILES: CCCC(=NNC(=O)CCCCC(=O)NN=C(C)CCC)C
Structure:
CAS RN: 6234-44-2
CAS Name: 4-[1-oxo-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]piperazine-1-carboxylate
IUPAC Name: ethyl 4-[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C20H22N6O4S
MOLECULAR WEIGHT: 442.49148
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4
Structure:
CAS RN: 6402-78-4
CAS Name: 2-(5-nitro-2-pyridinyl)-5-[3-[[2-(5-nitro-2-pyridinyl)-1,3-dioxo-5-isoindolyl]oxy]phenoxy]isoindole-1,3-dione
OPENEYE Name: 2-(5-nitro-2-pyridyl)-5-[3-[2-(5-nitro-2-pyridyl)-1,3-dioxo-isoindolin-5-yl]oxyphenoxy]isoindoline-1,3-dione
IUPAC Name: 2-(5-nitropyridin-2-yl)-5-[3-[2-(5-nitropyridin-2-yl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
SYSTEMATIC NAME: 2-(5-nitropyridin-2-yl)-5-[3-[2-(5-nitropyridin-2-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
MOLECULAR FORMULA: C32H16N6O10
MOLECULAR WEIGHT: 644.50364
SMILES: C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=NC=C(C=C4)[N+](=O)[O-])OC5=CC6=C(C=C5)C(=O)N(C6=O)C7=NC=C(C=C7)[N+](=O)[O-]
Structure:
CAS RN: 6283-73-4
CAS Name: 2-chloro-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide
OPENEYE Name: 2-chloro-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide
IUPAC Name: 2-chloro-N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-(6-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide
MOLECULAR FORMULA: C16H11Cl2N3O3S
MOLECULAR WEIGHT: 396.24784
SMILES: CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
Structure:
CAS RN: 4064-44-2
CAS Name: 3-[2-furanylmethyl-[2-hydroxy-3-(4-morpholinyl)propyl]amino]propanenitrile
OPENEYE Name: 3-[2-furylmethyl-(2-hydroxy-3-morpholino-propyl)amino]propanenitrile
IUPAC Name: 3-[furan-2-ylmethyl-(2-hydroxy-3-morpholin-4-ylpropyl)amino]propanenitrile
SYSTEMATIC NAME: 3-[furan-2-ylmethyl-(3-morpholin-4-yl-2-oxidanyl-propyl)amino]propanenitrile
MOLECULAR FORMULA: C15H23N3O3
MOLECULAR WEIGHT: 293.36142
SMILES: C1COCCN1CC(CN(CCC#N)CC2=CC=CO2)O
Structure:
CAS RN: 3984-13-2
CAS Name: 1-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-ethyl-2-methyl-3-pyrrolecarboxamide
OPENEYE Name: 1-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-ethyl-2-methyl-pyrrole-3-carboxamide
IUPAC Name: 1-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-ethyl-2-methylpyrrole-3-carboxamide
SYSTEMATIC NAME: 1-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-ethyl-2-methyl-pyrrole-3-carboxamide
MOLECULAR FORMULA: C19H25N3O
MOLECULAR WEIGHT: 311.4213
SMILES: CCC1=C(C(=C(N1C2CC2)C)C(=O)N)C3=CC=C(C=C3)N(C)C
Structure:
CAS RN: 850349-14-3
CAS Name: N-[(2-bromophenyl)methyl]-4-iodobenzenesulfonamide
OPENEYE Name: N-[(2-bromophenyl)methyl]-4-iodo-benzenesulfonamide
IUPAC Name: N-[(2-bromophenyl)methyl]-4-iodobenzenesulfonamide
SYSTEMATIC NAME: N-[(2-bromophenyl)methyl]-4-iodanyl-benzenesulfonamide
MOLECULAR FORMULA: C13H11BrINO2S
MOLECULAR WEIGHT: 452.10541
SMILES: C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=C(C=C2)I)Br
Structure:
CAS RN: 6595-09-1
CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester
OPENEYE Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate
IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate
SYSTEMATIC NAME: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate
MOLECULAR FORMULA: C17H15FN4O7
MOLECULAR WEIGHT: 406.322003
SMILES: CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6612-75-5
CAS Name: 5-[[3-(4-butoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-octyl-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-octyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C32H39N3O2S2
MOLECULAR WEIGHT: 561.80096
SMILES: CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCCC)C)C4=CC=CC=C4)SC1=S
Structure:
CAS RN: 6612-14-2
CAS Name: 3-methylbenzoic acid [4-[(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester
OPENEYE Name: [4-[(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate
IUPAC Name: [4-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate
SYSTEMATIC NAME: [4-[(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate
MOLECULAR FORMULA: C24H25NO3S2
MOLECULAR WEIGHT: 439.5902
SMILES: CCCCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)C)SC1=S
Structure:
CAS RN: 6045-74-5
CAS Name: 2-amino-3-[2-[5-[2-[(2-amino-2-carboxyethyl)thio]ethyl]-3,6-dioxo-2-piperazinyl]ethylthio]propanoic acid
OPENEYE Name: 2-amino-3-[2-[5-[2-(2-amino-2-carboxy-ethyl)sulfanylethyl]-3,6-dioxo-piperazin-2-yl]ethylsulfanyl]propanoic acid
IUPAC Name: 2-amino-3-[2-[5-[2-(2-amino-2-carboxyethyl)sulfanylethyl]-3,6-dioxopiperazin-2-yl]ethylsulfanyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[2-[5-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylethyl]-3,6-bis(oxidanylidene)piperazin-2-yl]ethylsulfanyl]propanoic acid
MOLECULAR FORMULA: C14H24N4O6S2
MOLECULAR WEIGHT: 408.49356
SMILES: C(CSCC(C(=O)O)N)C1C(=O)NC(C(=O)N1)CCSCC(C(=O)O)N
Structure:
CAS RN: 6045-13-2
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-N-(2-thiazolylmethyl)-1-cyclopropanecarboxamide
OPENEYE Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-N-(thiazol-2-ylmethyl)cyclopropanecarboxamide
IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C23H22N2O3S
MOLECULAR WEIGHT: 406.49738
SMILES: C1CC1(C2=CC=CC=C2)C(=O)N(CC3COC4=CC=CC=C4O3)CC5=NC=CS5
Structure:
CAS RN: 6616-75-7
CAS Name: 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-3-[(4-fluorophenyl)methyl]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C24H16BrFN2O4S2
MOLECULAR WEIGHT: 559.427243
SMILES: C1=CC(=CC=C1CN2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])Br)SC2=S)F
Structure:
CAS RN: 4066-18-6
CAS Name: N-(2-ethoxyethyl)-2-nitrobenzenesulfonamide
OPENEYE Name: N-(2-ethoxyethyl)-2-nitro-benzenesulfonamide
IUPAC Name: N-(2-ethoxyethyl)-2-nitrobenzenesulfonamide
SYSTEMATIC NAME: N-(2-ethoxyethyl)-2-nitro-benzenesulfonamide
MOLECULAR FORMULA: C10H14N2O5S
MOLECULAR WEIGHT: 274.29356
SMILES: CCOCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 886498-08-4
CAS Name: 2-fluoro-5-(trifluoromethoxy)benzonitrile
OPENEYE Name: 2-fluoro-5-(trifluoromethoxy)benzonitrile
IUPAC Name: 2-fluoro-5-(trifluoromethoxy)benzonitrile
SYSTEMATIC NAME: 2-fluoranyl-5-(trifluoromethyloxy)benzenecarbonitrile
MOLECULAR FORMULA: C8H3F4NO
MOLECULAR WEIGHT: 205.109133
SMILES: C1=CC(=C(C=C1OC(F)(F)F)C#N)F
Structure:
CAS RN: 6295-03-0
CAS Name: 4-amino-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
OPENEYE Name: 4-amino-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
IUPAC Name: 4-amino-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
SYSTEMATIC NAME: 4-azanyl-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
MOLECULAR FORMULA: C20H16N4O
MOLECULAR WEIGHT: 328.36724
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)N
Structure:
CAS RN: 6119-55-7
CAS Name: N-[4-(dimethylamino)phenyl]-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-[(4-phenyl-2-thiazolyl)methyl]amino]-2-thiophen-2-ylacetamide
OPENEYE Name: N-[4-(dimethylamino)phenyl]-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-phenylthiazol-2-yl)methyl]amino]-2-(2-thienyl)acetamide
IUPAC Name: N-[4-(dimethylamino)phenyl]-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-2-thiophen-2-ylacetamide
SYSTEMATIC NAME: N-[4-(dimethylamino)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-2-thiophen-2-yl-ethanamide
MOLECULAR FORMULA: C32H32N6O2S3
MOLECULAR WEIGHT: 628.83048
SMILES: CC1=CC(=NC(=N1)SCC(=O)N(CC2=NC(=CS2)C3=CC=CC=C3)C(C4=CC=CS4)C(=O)NC5=CC=C(C=C5)N(C)C)C
Structure:
CAS RN: 6812-28-8
CAS Name: 2-[[4-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one
OPENEYE Name: 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylene]-4-(m-tolylmethyl)-1,4-benzothiazin-3-one
IUPAC Name: 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 2-[[4-[4-(4-chlorophenyl)piperazin-1-yl]carbonylphenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C34H30ClN3O2S
MOLECULAR WEIGHT: 580.1389
SMILES: CC1=CC(=CC=C1)CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)Cl)C2=O
Structure:
CAS RN: 6567-19-7
CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]ethanone
OPENEYE Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C31H32ClN3O4
MOLECULAR WEIGHT: 546.05648
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CC3=C(N(C4=C3C=C(C=C4)OC)C(=O)C5=CC=C(C=C5)Cl)C
Structure:
CAS RN: 4066-17-5
CAS Name: 3-(4-methoxyphenyl)sulfonyl-7,11-dioxa-3-azaspiro[5.5]undecane
OPENEYE Name: 3-(4-methoxyphenyl)sulfonyl-7,11-dioxa-3-azaspiro[5.5]undecane
IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-7,11-dioxa-3-azaspiro[5.5]undecane
SYSTEMATIC NAME: 3-(4-methoxyphenyl)sulfonyl-7,11-dioxa-3-azaspiro[5.5]undecane
MOLECULAR FORMULA: C15H21NO5S
MOLECULAR WEIGHT: 327.39594
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)OCCCO3
Structure:
CAS RN: 6802-18-2
CAS Name: 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-octyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide
OPENEYE Name: 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-octyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC Name: 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-octylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-octyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C24H31ClN4O
MOLECULAR WEIGHT: 426.98214
SMILES: CCCCCCCCNC(=O)C1=C2N=C(C(=C(N2N=C1)C)CC3=CC(=CC=C3)Cl)C
Structure:
CAS RN: 6247-82-1
CAS Name: N-(3,4-dichlorophenyl)-2-[[1-[(2-methylphenyl)methyl]-3-indolyl]thio]acetamide
OPENEYE Name: N-(3,4-dichlorophenyl)-2-[1-(o-tolylmethyl)indol-3-yl]sulfanyl-acetamide
IUPAC Name: N-(3,4-dichlorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C24H20Cl2N2OS
MOLECULAR WEIGHT: 455.3994
SMILES: CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC(=C(C=C4)Cl)Cl
Structure:
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