CAS RN: 6085-55-8
CAS Name: N-[[4-[4-(1-benzimidazolylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
OPENEYE Name: N-[[4-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
IUPAC Name: N-[[4-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
SYSTEMATIC NAME: N-[[4-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
MOLECULAR FORMULA: C38H35N3O5S
MOLECULAR WEIGHT: 645.7666
SMILES: C1=CC=C(C=C1)C2C(OC(OC2C3=CC=C(C=C3)CO)C4=CC=C(C=C4)CNS(=O)(=O)C5=CC=CC=C5)CN6C=NC7=CC=CC=C76
Structure:
CAS RN: 6756-95-2
CAS Name: 2,3,4,5-tetrafluoro-6-(3-methoxyanilino)benzoate
OPENEYE Name: 2,3,4,5-tetrafluoro-6-(3-methoxyanilino)benzoate
IUPAC Name: 2,3,4,5-tetrafluoro-6-(3-methoxyanilino)benzoate
SYSTEMATIC NAME: 2,3,4,5-tetrakis(fluoranyl)-6-[(3-methoxyphenyl)amino]benzoate
MOLECULAR FORMULA: C14H8F4NO3-
MOLECULAR WEIGHT: 314.211833
SMILES: COC1=CC=CC(=C1)NC2=C(C(=C(C(=C2F)F)F)F)C(=O)[O-]
Structure:
CAS RN: 6190-66-5
CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
OPENEYE Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
SYSTEMATIC NAME: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
MOLECULAR FORMULA: C15H15N7O3S2
MOLECULAR WEIGHT: 405.4547
SMILES: CCC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=NN=CN3C
Structure:
CAS RN: 6797-72-4
CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
OPENEYE Name: N-(2,3-dimethylphenyl)-2-fluoro-5-indolin-1-ylsulfonyl-benzamide
IUPAC Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
SYSTEMATIC NAME: 5-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)-2-fluoranyl-benzamide
MOLECULAR FORMULA: C23H21FN2O3S
MOLECULAR WEIGHT: 424.487843
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)F)C
Structure:
CAS RN: 6008-01-1
CAS Name: N-butan-2-yl-N-[2-oxo-2-(2-thiazolylamino)ethyl]-1,3-benzodioxole-5-carboxamide
OPENEYE Name: N-[2-oxo-2-(thiazol-2-ylamino)ethyl]-N-sec-butyl-1,3-benzodioxole-5-carboxamide
IUPAC Name: N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-butan-2-yl-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C17H19N3O4S
MOLECULAR WEIGHT: 361.41546
SMILES: CCC(C)N(CC(=O)NC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 6817-55-6
CAS Name: 5-methyl-2-phenyl-N-(4-phenylbutan-2-yl)-3-pyrazolecarboxamide
OPENEYE Name: 5-methyl-N-(1-methyl-3-phenyl-propyl)-2-phenyl-pyrazole-3-carboxamide
IUPAC Name: 5-methyl-2-phenyl-N-(4-phenylbutan-2-yl)pyrazole-3-carboxamide
SYSTEMATIC NAME: 5-methyl-2-phenyl-N-(4-phenylbutan-2-yl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C21H23N3O
MOLECULAR WEIGHT: 333.42682
SMILES: CC1=NN(C(=C1)C(=O)NC(C)CCC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 6817-54-5
CAS Name: 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-furanylmethyl)acetamide
OPENEYE Name: 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-furylmethyl)acetamide
IUPAC Name: 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: C1COC2=CC=CC=C2N1CC(=O)NCC3=CC=CO3
Structure:
CAS RN: 6858-95-3
CAS Name: [3-[(4-bromophenyl)methoxy]phenyl]methylidene-[[ethylamino(sulfanylidene)methyl]amino]ammonium
OPENEYE Name: [3-[(4-bromophenyl)methoxy]phenyl]methylene-(ethylcarbamothioylamino)ammonium
IUPAC Name: [3-[(4-bromophenyl)methoxy]phenyl]methylidene-(ethylcarbamothioylamino)azanium
SYSTEMATIC NAME: [3-[(4-bromophenyl)methoxy]phenyl]methylidene-(ethylcarbamothioylamino)azanium
MOLECULAR FORMULA: C17H19BrN3OS+
MOLECULAR WEIGHT: 393.32126
SMILES: CCNC(=S)N[NH+]=CC1=CC(=CC=C1)OCC2=CC=C(C=C2)Br
Structure:
CAS RN: 6610-60-2
CAS Name: 3-(2-chlorophenyl)-2-[(2-oxo-3-oxolanyl)thio]-4-quinazolinone
OPENEYE Name: 3-(2-chlorophenyl)-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-quinazolin-4-one
IUPAC Name: 3-(2-chlorophenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
SYSTEMATIC NAME: 3-(2-chlorophenyl)-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-quinazolin-4-one
MOLECULAR FORMULA: C18H13ClN2O3S
MOLECULAR WEIGHT: 372.82542
SMILES: C1COC(=O)C1SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl
Structure:
CAS RN: 6610-58-8
CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester
OPENEYE Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
SYSTEMATIC NAME: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
MOLECULAR FORMULA: C20H21NO5
MOLECULAR WEIGHT: 355.38444
SMILES: CCC1=CC=CC(=C1NC(=O)COC(=O)C2COC3=CC=CC=C3O2)C
Structure:
CAS RN: 6696-15-7
CAS Name: N-[(4-fluorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide
OPENEYE Name: N-[(4-fluorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide
IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-N-[(7-oxidanylidene-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide
MOLECULAR FORMULA: C22H21FN2O4
MOLECULAR WEIGHT: 396.411543
SMILES: CCC(=O)N(CC1=CC=C(C=C1)F)CC2=CC3=CC4=C(C=C3NC2=O)OCCO4
Structure:
CAS RN: 6229-88-5
CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]acetamide
OPENEYE Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-acetamide
IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
SYSTEMATIC NAME: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide
MOLECULAR FORMULA: C22H29N3O2S2
MOLECULAR WEIGHT: 431.61456
SMILES: CCC1CCCCN1C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)C)C
Structure:
CAS RN: 6522-28-7
CAS Name: 4-(hydroxyiminomethyl)benzonitrile
OPENEYE Name: 4-(hydroxyiminomethyl)benzonitrile
IUPAC Name: 4-(hydroxyiminomethyl)benzonitrile
SYSTEMATIC NAME: 4-(hydroxyiminomethyl)benzenecarbonitrile
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CC(=CC=C1C=NO)C#N
Structure:
CAS RN: 6830-91-7
CAS Name: 5-(2-chlorophenyl)-4-phenyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione
OPENEYE Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-chlorophenyl)-4-phenyl-1,2,4-triazole-3-thione
IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-chlorophenyl)-4-phenyl-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-(2-chlorophenyl)-4-phenyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C27H28ClN4S+
MOLECULAR WEIGHT: 476.05602
SMILES: C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4Cl)C5=CC=CC=C5
Structure:
CAS RN: 6447-62-7
CAS Name: 9-(3-chlorophenyl)-4-oxo-2,6-diphenyl-3-oxa-8,9-diazaspiro[4.4]nona-1,7-diene-7-carboxylic acid ethyl ester
OPENEYE Name: ethyl 9-(3-chlorophenyl)-4-oxo-2,6-diphenyl-3-oxa-8,9-diazaspiro[4.4]nona-1,7-diene-7-carboxylate
IUPAC Name: ethyl 9-(3-chlorophenyl)-4-oxo-2,6-diphenyl-3-oxa-8,9-diazaspiro[4.4]nona-1,7-diene-7-carboxylate
SYSTEMATIC NAME: ethyl 9-(3-chlorophenyl)-4-oxidanylidene-2,6-diphenyl-3-oxa-8,9-diazaspiro[4.4]nona-1,7-diene-7-carboxylate
MOLECULAR FORMULA: C27H21ClN2O4
MOLECULAR WEIGHT: 472.91964
SMILES: CCOC(=O)C1=NN(C2(C1C3=CC=CC=C3)C=C(OC2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
Structure:
CAS RN: 6262-19-7
CAS Name: N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide
OPENEYE Name: N-[2-(o-tolyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenyl-benzamide
IUPAC Name: N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide
SYSTEMATIC NAME: N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenyl-benzamide
MOLECULAR FORMULA: C25H21N3OS
MOLECULAR WEIGHT: 411.51874
SMILES: CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
Structure:
CAS RN: 5449-27-4
CAS Name: 2-oxolanecarboxylic acid [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester
OPENEYE Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] tetrahydrofuran-2-carboxylate
IUPAC Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] oxolane-2-carboxylate
SYSTEMATIC NAME: [2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] oxolane-2-carboxylate
MOLECULAR FORMULA: C15H20N2O6S
MOLECULAR WEIGHT: 356.3941
SMILES: CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2CCCO2
Structure:
CAS RN: 5445-74-9
CAS Name: N-[(3,4-dichlorophenyl)methyl]aniline
OPENEYE Name: N-[(3,4-dichlorophenyl)methyl]aniline
IUPAC Name: N-[(3,4-dichlorophenyl)methyl]aniline
SYSTEMATIC NAME: N-[(3,4-dichlorophenyl)methyl]aniline
MOLECULAR FORMULA: C13H11Cl2N
MOLECULAR WEIGHT: 252.13914
SMILES: C1=CC=C(C=C1)NCC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 6760-57-2
CAS Name: 4-[[2-methyl-4-(2-methylpropoxy)phenyl]-oxomethyl]-5-pyridin-4-yl-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione
OPENEYE Name: 4-(4-isobutoxy-2-methyl-benzoyl)-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione
IUPAC Name: 4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[2-methyl-4-(2-methylpropoxy)phenyl]carbonyl-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C27H27N3O4
MOLECULAR WEIGHT: 457.52098
SMILES: CC1=C(C=CC(=C1)OCC(C)C)C(=O)C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4
Structure:
CAS RN: 5137-32-6
CAS Name: 1-[bis(2,5-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid
OPENEYE Name: 1-[bis(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
IUPAC Name: 1-[bis(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[bis(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
MOLECULAR FORMULA: C23H29NO6
MOLECULAR WEIGHT: 415.47946
SMILES: COC1=CC(=C(C=C1)OC)C(C2=C(C=CC(=C2)OC)OC)N3CCCCC3C(=O)O
Structure:
CAS RN: 5689-43-0
CAS Name: 2-bromo-5-methoxy-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]benzamide
OPENEYE Name: 2-bromo-N-[2-[2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-5-methoxy-benzamide
IUPAC Name: 2-bromo-5-methoxy-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
SYSTEMATIC NAME: 2-bromanyl-5-methoxy-N-[2-[5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]benzamide
MOLECULAR FORMULA: C21H19BrN2O4S
MOLECULAR WEIGHT: 475.35556
SMILES: CC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CCNC(=O)C3=C(C=CC(=C3)OC)Br
Structure:
CAS RN: 4715-39-3
CAS Name: N-[4-(4-butylphenyl)-2-thiazolyl]-2-thiophenecarboxamide
OPENEYE Name: N-[4-(4-butylphenyl)thiazol-2-yl]thiophene-2-carboxamide
IUPAC Name: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C18H18N2OS2
MOLECULAR WEIGHT: 342.47832
SMILES: CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CS3
Structure:
CAS RN: 5999-96-2
CAS Name: N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-2-oxoethyl]-4-methyl-N-propylbenzamide
OPENEYE Name: N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-oxo-ethyl]-4-methyl-N-propyl-benzamide
IUPAC Name: N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methyl-N-propylbenzamide
SYSTEMATIC NAME: N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-N-propyl-benzamide
MOLECULAR FORMULA: C26H29ClN4O3
MOLECULAR WEIGHT: 480.98646
SMILES: CCCN(CC(=O)N1CCCCC1C2=NC(=NO2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)C
Structure:
CAS RN: 5994-44-5
CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)acetamide
OPENEYE Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(3-pyridylmethyl)acetamide
IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)ethanamide
MOLECULAR FORMULA: C25H30ClN7O2S
MOLECULAR WEIGHT: 528.0694
SMILES: C1CCC(C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N(CCC#N)CC4=CN=CC=C4)Cl
Structure:
CAS RN: 5402-76-6
CAS Name: 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]-1-benzothiophene-2-carboxamide
OPENEYE Name: 3,6-dichloro-N-[6-chloro-2-(p-tolyl)benzotriazol-5-yl]benzothiophene-2-carboxamide
IUPAC Name: 3,6-dichloro-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 3,6-bis(chloranyl)-N-[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C22H13Cl3N4OS
MOLECULAR WEIGHT: 487.78882
SMILES: CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl
Structure:
CAS RN: 5402-15-3
CAS Name: N-(3,4-dichlorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
OPENEYE Name: N-(3,4-dichlorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
IUPAC Name: N-(3,4-dichlorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C16H10Cl2FN3O2S
MOLECULAR WEIGHT: 398.238903
SMILES: C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)F
Structure:
CAS RN: 4728-29-4
CAS Name: 2,3,3-trichloro-N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazol-5-yl]-2-propenamide
OPENEYE Name: 2,3,3-trichloro-N-[3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]prop-2-enamide
IUPAC Name: 2,3,3-trichloro-N-[3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]prop-2-enamide
SYSTEMATIC NAME: 2,3,3-tris(chloranyl)-N-[3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]prop-2-enamide
MOLECULAR FORMULA: C12H5Cl3F3N5O3S
MOLECULAR WEIGHT: 462.61901
SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NNC(=N2)NC(=O)C(=C(Cl)Cl)Cl
Structure:
CAS RN: 4043-77-0
CAS Name: N-[2-(1-cyclohexenyl)ethyl]-1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinecarboxamide
OPENEYE Name: N-[2-(cyclohexen-1-yl)ethyl]-4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide
IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide
SYSTEMATIC NAME: N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C20H28N4OS
MOLECULAR WEIGHT: 372.52752
SMILES: CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCCC3=CCCCC3)C
Structure:
CAS RN: 5938-57-8
CAS Name: N-[3-[2-(diethylamino)-4-thiazolyl]phenyl]octanamide
OPENEYE Name: N-[3-[2-(diethylamino)thiazol-4-yl]phenyl]octanamide
IUPAC Name: N-[3-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]octanamide
SYSTEMATIC NAME: N-[3-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]octanamide
MOLECULAR FORMULA: C21H31N3OS
MOLECULAR WEIGHT: 373.55534
SMILES: CCCCCCCC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)N(CC)CC
Structure:
CAS RN: 5853-49-6
CAS Name: 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-morpholinyl)-4-thiazolone
OPENEYE Name: 5-[(5-bromo-2-hydroxy-phenyl)methylene]-2-morpholino-thiazol-4-one
IUPAC Name: 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SYSTEMATIC NAME: 5-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
MOLECULAR FORMULA: C14H13BrN2O3S
MOLECULAR WEIGHT: 369.23362
SMILES: C1COCCN1C2=NC(=O)C(=CC3=C(C=CC(=C3)Br)O)S2
Structure:
CAS RN: 5277-24-7
CAS Name: 2-[[(3-butoxypropylamino)-oxomethyl]amino]-3-methylbutanoic acid methyl ester
OPENEYE Name: methyl 2-(3-butoxypropylcarbamoylamino)-3-methyl-butanoate
IUPAC Name: methyl 2-(3-butoxypropylcarbamoylamino)-3-methylbutanoate
SYSTEMATIC NAME: methyl 2-(3-butoxypropylcarbamoylamino)-3-methyl-butanoate
MOLECULAR FORMULA: C14H28N2O4
MOLECULAR WEIGHT: 288.38312
SMILES: CCCCOCCCNC(=O)NC(C(C)C)C(=O)OC
Structure:
CAS RN: 4571-56-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N4O3
MOLECULAR WEIGHT: 408.49342
SMILES: CCC1=CC=C(C=C1)NC(=O)CCNC(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3
Structure:
CAS RN: 5757-19-7
CAS Name: 1-[bis(phenylmethyl)amino]-3-(9-carbazolyl)-2-propanol
OPENEYE Name: 1-carbazol-9-yl-3-(dibenzylamino)propan-2-ol
IUPAC Name: 1-carbazol-9-yl-3-(dibenzylamino)propan-2-ol
SYSTEMATIC NAME: 1-[bis(phenylmethyl)amino]-3-carbazol-9-yl-propan-2-ol
MOLECULAR FORMULA: C29H28N2O
MOLECULAR WEIGHT: 420.54542
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O
Structure:
CAS RN: 5754-74-5
CAS Name: N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetamide
OPENEYE Name: N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
IUPAC Name: N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C8H10N8O3S
MOLECULAR WEIGHT: 298.2818
SMILES: CC(=O)NC1=NON=C1NC(=O)CSC2=NNC(=N2)N
Structure:
CAS RN: 5754-13-2
CAS Name: 1-[2-[(2-methylphenyl)thio]ethyl]-3-[6-[[[2-[(2-methylphenyl)thio]ethylamino]-oxomethyl]amino]hexyl]urea
OPENEYE Name: 1-[2-(o-tolylsulfanyl)ethyl]-3-[6-[2-(o-tolylsulfanyl)ethylcarbamoylamino]hexyl]urea
IUPAC Name: 1-[2-(2-methylphenyl)sulfanylethyl]-3-[6-[2-(2-methylphenyl)sulfanylethylcarbamoylamino]hexyl]urea
SYSTEMATIC NAME: 1-[2-(2-methylphenyl)sulfanylethyl]-3-[6-[2-(2-methylphenyl)sulfanylethylcarbamoylamino]hexyl]urea
MOLECULAR FORMULA: C26H38N4O2S2
MOLECULAR WEIGHT: 502.73552
SMILES: CC1=CC=CC=C1SCCNC(=O)NCCCCCCNC(=O)NCCSC2=CC=CC=C2C
Structure:
CAS RN: 5936-10-7
CAS Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide
OPENEYE Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide
IUPAC Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide
SYSTEMATIC NAME: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide
MOLECULAR FORMULA: C24H27N3O4
MOLECULAR WEIGHT: 421.48888
SMILES: CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 5822-85-5
CAS Name: 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N4-methyl-N2,N2-diphenyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: N4-methyl-N2,N2-diphenyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yloxy]-N4-methyl-N2,N2-diphenyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C19H15F6N5O
MOLECULAR WEIGHT: 443.345719
SMILES: CNC1=NC(=NC(=N1)OC(C(F)(F)F)C(F)(F)F)N(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 5548-44-7
CAS Name: N-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide
OPENEYE Name: N-(4-bromo-2-fluoro-phenyl)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide
IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C19H18BrFN2O2
MOLECULAR WEIGHT: 405.260823
SMILES: CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=C(C=C3)Br)F)C
Structure:
CAS RN: 5530-37-0
CAS Name: 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]acetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-[5-[(2-iodophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]acetate
IUPAC Name: tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
SYSTEMATIC NAME: tert-butyl 2-[5-[(2-iodanylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethanoate
MOLECULAR FORMULA: C16H16INO4S
MOLECULAR WEIGHT: 445.27201
SMILES: CC(C)(C)OC(=O)CN1C(=O)C(=CC2=CC=CC=C2I)SC1=O
Structure:
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