CAS RN: 5939-85-5
CAS Name: N-(2-methylpropyl)-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]benzenesulfonamide
OPENEYE Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-isobutyl-benzenesulfonamide
IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
SYSTEMATIC NAME: N-(2-methylpropyl)-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide
MOLECULAR FORMULA: C22H26N2O2S
MOLECULAR WEIGHT: 382.51904
SMILES: CC(C)CN(CC1=CC=CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 5939-24-2
CAS Name: N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-2,4-dimethoxy-N-prop-2-enylbenzamide
OPENEYE Name: N-allyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxy-benzamide
IUPAC Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxy-N-prop-2-enylbenzamide
SYSTEMATIC NAME: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxy-N-prop-2-enyl-benzamide
MOLECULAR FORMULA: C24H25FN2O3
MOLECULAR WEIGHT: 408.465303
SMILES: COC1=CC(=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC(=CC=C3)F)OC
Structure:
CAS RN: 6767-77-7
CAS Name: 3-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-4-oxo-N-phenyl-N-prop-2-enyl-1H-quinoline-6-sulfonamide
OPENEYE Name: N-allyl-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-N-phenyl-1H-quinoline-6-sulfonamide
IUPAC Name: 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-N-phenyl-N-prop-2-enyl-1H-quinoline-6-sulfonamide
SYSTEMATIC NAME: 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-4-oxidanylidene-N-phenyl-N-prop-2-enyl-1H-quinoline-6-sulfonamide
MOLECULAR FORMULA: C26H27N3O6S
MOLECULAR WEIGHT: 509.57408
SMILES: C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCC5(CC4)OCCO5
Structure:
CAS RN: 6827-43-6
CAS Name: N-(2-ethylphenyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
OPENEYE Name: N-(2-ethylphenyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
IUPAC Name: N-(2-ethylphenyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
SYSTEMATIC NAME: N-(2-ethylphenyl)-7,7-dimethyl-2,5-bis(oxidanylidene)-1-phenyl-6,8-dihydroquinoline-3-carboxamide
MOLECULAR FORMULA: C26H26N2O3
MOLECULAR WEIGHT: 414.49624
SMILES: CCC1=CC=CC=C1NC(=O)C2=CC3=C(CC(CC3=O)(C)C)N(C2=O)C4=CC=CC=C4
Structure:
CAS RN: 6827-42-5
CAS Name: N-(2-bromophenyl)-1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
OPENEYE Name: N-(2-bromophenyl)-1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
IUPAC Name: N-(2-bromophenyl)-1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SYSTEMATIC NAME: N-(2-bromophenyl)-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)-7,8-dihydro-6H-quinoline-3-carboxamide
MOLECULAR FORMULA: C22H16BrClN2O3
MOLECULAR WEIGHT: 471.73104
SMILES: C1CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4Br)C(=O)C1
Structure:
CAS RN: 6227-79-8
CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[1-[(2-methylphenyl)methyl]-3-indolyl]thio]ethanone
OPENEYE Name: 1-(2-ethyl-1-piperidyl)-2-[1-(o-tolylmethyl)indol-3-yl]sulfanyl-ethanone
IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(2-ethylpiperidin-1-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanone
MOLECULAR FORMULA: C25H30N2OS
MOLECULAR WEIGHT: 406.5835
SMILES: CCC1CCCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C
Structure:
CAS RN: 6227-18-5
CAS Name: N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide
OPENEYE Name: N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethyl-benzamide
IUPAC Name: N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide
SYSTEMATIC NAME: N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethyl-benzamide
MOLECULAR FORMULA: C23H25N3OS
MOLECULAR WEIGHT: 391.5291
SMILES: CC1=C(C=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=C(C=C(C=C4C)C)C)C
Structure:
CAS RN: 6306-32-7
CAS Name: N-(2-butan-2-ylphenyl)-1-ethyl-4-pyrazolecarboxamide
OPENEYE Name: 1-ethyl-N-(2-sec-butylphenyl)pyrazole-4-carboxamide
IUPAC Name: N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(2-butan-2-ylphenyl)-1-ethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C16H21N3O
MOLECULAR WEIGHT: 271.35744
SMILES: CCC(C)C1=CC=CC=C1NC(=O)C2=CN(N=C2)CC
Structure:
CAS RN: 6795-69-3
CAS Name: 2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]acetonitrile
OPENEYE Name: 2-[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanylacetonitrile
IUPAC Name: 2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile
SYSTEMATIC NAME: 2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanenitrile
MOLECULAR FORMULA: C21H15FN4O2S3
MOLECULAR WEIGHT: 470.562803
SMILES: CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC#N)C4=CC=C(C=C4)F)SC2=S
Structure:
CAS RN: 5863-33-2
CAS Name: 4-ethoxy-3-methoxy-N-(1-naphthalenylmethyl)benzamide
OPENEYE Name: 4-ethoxy-3-methoxy-N-(1-naphthylmethyl)benzamide
IUPAC Name: 4-ethoxy-3-methoxy-N-(naphthalen-1-ylmethyl)benzamide
SYSTEMATIC NAME: 4-ethoxy-3-methoxy-N-(naphthalen-1-ylmethyl)benzamide
MOLECULAR FORMULA: C21H21NO3
MOLECULAR WEIGHT: 335.39634
SMILES: CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC3=CC=CC=C32)OC
Structure:
CAS RN: 5789-56-0
CAS Name: 6-bromo-3-(2-chlorophenyl)-4-phenyl-1-benzopyran-2-one
OPENEYE Name: 6-bromo-3-(2-chlorophenyl)-4-phenyl-chromen-2-one
IUPAC Name: 6-bromo-3-(2-chlorophenyl)-4-phenylchromen-2-one
SYSTEMATIC NAME: 6-bromanyl-3-(2-chlorophenyl)-4-phenyl-chromen-2-one
MOLECULAR FORMULA: C21H12BrClO2
MOLECULAR WEIGHT: 411.67578
SMILES: C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=C(C=C3)Br)C4=CC=CC=C4Cl
Structure:
CAS RN: 6748-99-8
CAS Name: 3-chloro-5-(4-chlorophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
OPENEYE Name: 3-chloro-5-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC Name: 3-chloro-5-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: 3-chloranyl-5-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C20H19Cl2F3N5O2+
MOLECULAR WEIGHT: 489.29837
SMILES: C1COCC[NH+]1CCNC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)Cl)C(F)(F)F
Structure:
CAS RN: 4524-50-9
CAS Name: N-[(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
OPENEYE Name: N-[(4-benzyloxyphenyl)methyleneamino]dodecanamide
IUPAC Name: N-[(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
SYSTEMATIC NAME: N-[(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
MOLECULAR FORMULA: C26H36N2O2
MOLECULAR WEIGHT: 408.57624
SMILES: CCCCCCCCCCCC(=O)NN=CC1=CC=C(C=C1)OCC2=CC=CC=C2
Structure:
CAS RN: 5491-85-0
CAS Name: N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(2-chlorophenoxy)acetamide
OPENEYE Name: N-[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]-2-(2-chlorophenoxy)acetamide
IUPAC Name: N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(2-chlorophenoxy)acetamide
SYSTEMATIC NAME: N-[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]-2-(2-chloranylphenoxy)ethanamide
MOLECULAR FORMULA: C21H14Cl2N2O3
MOLECULAR WEIGHT: 413.25346
SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)COC4=CC=CC=C4Cl
Structure:
CAS RN: 5478-67-1
CAS Name: 2-amino-5-[dimethylamino(oxo)methyl]-4-[[3-(2-furanyl)-1-oxoprop-2-enoxy]methyl]-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-5-(dimethylcarbamoyl)-4-[3-(2-furyl)prop-2-enoyloxymethyl]thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-5-(dimethylcarbamoyl)-4-[3-(furan-2-yl)prop-2-enoyloxymethyl]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-(dimethylcarbamoyl)-4-[3-(furan-2-yl)prop-2-enoyloxymethyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C18H20N2O6S
MOLECULAR WEIGHT: 392.4262
SMILES: CCOC(=O)C1=C(SC(=C1COC(=O)C=CC2=CC=CO2)C(=O)N(C)C)N
Structure:
CAS RN: 5950-94-7
CAS Name: 1-[[2-[[[4-(2,5-dichlorophenyl)-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-[2-[[4-(2,5-dichlorophenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carbonyl]piperidine-4-carboxylate
IUPAC Name: ethyl 1-[2-[[4-(2,5-dichlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[[2-[[4-[2,5-bis(chloranyl)phenyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C25H23Cl2N5O4S2
MOLECULAR WEIGHT: 592.51722
SMILES: CCOC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=C(C=CC(=C4)Cl)Cl)C5=CC=CO5
Structure:
CAS RN: 5495-86-3
CAS Name: 4-bromo-N-[4-oxo-3-prop-2-enyl-5-(2-quinolinylmethylidene)-2-thiazolidinylidene]benzenesulfonamide
OPENEYE Name: N-[3-allyl-4-oxo-5-(2-quinolylmethylene)thiazolidin-2-ylidene]-4-bromo-benzenesulfonamide
IUPAC Name: 4-bromo-N-[4-oxo-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SYSTEMATIC NAME: 4-bromanyl-N-[4-oxidanylidene-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C22H16BrN3O3S2
MOLECULAR WEIGHT: 514.41474
SMILES: C=CCN1C(=O)C(=CC2=NC3=CC=CC=C3C=C2)SC1=NS(=O)(=O)C4=CC=C(C=C4)Br
Structure:
CAS RN: 5940-95-4
CAS Name: 2-[[[(2-methoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-thiazolecarboxamide
OPENEYE Name: N-isopropyl-2-[[isopropyl-(2-methoxybenzoyl)amino]methyl]thiazole-4-carboxamide
IUPAC Name: 2-[[(2-methoxybenzoyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-[[(2-methoxyphenyl)carbonyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C19H25N3O3S
MOLECULAR WEIGHT: 375.4851
SMILES: CC(C)NC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)C2=CC=CC=C2OC
Structure:
CAS RN: 5940-34-1
CAS Name: N-[4-[2-(prop-2-enylamino)-4-thiazolyl]phenyl]nonanamide
OPENEYE Name: N-[4-[2-(allylamino)thiazol-4-yl]phenyl]nonanamide
IUPAC Name: N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]nonanamide
SYSTEMATIC NAME: N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]nonanamide
MOLECULAR FORMULA: C21H29N3OS
MOLECULAR WEIGHT: 371.53946
SMILES: CCCCCCCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NCC=C
Structure:
CAS RN: 5660-80-0
CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-chloro-3-(4-chlorophenyl)-4-quinazolinone
OPENEYE Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(4-chlorophenyl)quinazolin-4-one
IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(4-chlorophenyl)quinazolin-4-one
SYSTEMATIC NAME: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(4-chlorophenyl)quinazolin-4-one
MOLECULAR FORMULA: C22H21Cl2N3O2S
MOLECULAR WEIGHT: 462.39204
SMILES: C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl
Structure:
CAS RN: 5960-59-8
CAS Name: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
OPENEYE Name: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
SYSTEMATIC NAME: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
MOLECULAR FORMULA: C21H20F4N4O2S2
MOLECULAR WEIGHT: 500.532713
SMILES: C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=NC(=NS3)CC4=CC=C(C=C4)F
Structure:
CAS RN: 5511-46-6
CAS Name: 3-(4-fluorophenyl)-3-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-thiazolyl]propanamide
OPENEYE Name: 3-(4-fluorophenyl)-3-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]propanamide
IUPAC Name: 3-(4-fluorophenyl)-3-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
SYSTEMATIC NAME: 3-(4-fluorophenyl)-3-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
MOLECULAR FORMULA: C26H20F4N2OS
MOLECULAR WEIGHT: 484.508413
SMILES: C1=CC=C(C=C1)C(CC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)F
Structure:
CAS RN: 5741-77-5
CAS Name: N-(5-chloro-2-methylphenyl)-2-[2,5-dioxo-4-(phenylmethyl)-1-imidazolidinyl]acetamide
OPENEYE Name: 2-(4-benzyl-2,5-dioxo-imidazolidin-1-yl)-N-(5-chloro-2-methyl-phenyl)acetamide
IUPAC Name: 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(5-chloro-2-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)-4-(phenylmethyl)imidazolidin-1-yl]-N-(5-chloranyl-2-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C19H18ClN3O3
MOLECULAR WEIGHT: 371.81752
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C(NC2=O)CC3=CC=CC=C3
Structure:
CAS RN: 6733-19-3
CAS Name: 2-(4-ethoxycarbonyl-5-methyl-2-oxo-1-phenyl-3H-pyrrol-3-yl)acetate
OPENEYE Name: 2-(4-ethoxycarbonyl-5-methyl-2-oxo-1-phenyl-3H-pyrrol-3-yl)acetate
IUPAC Name: 2-(4-ethoxycarbonyl-5-methyl-2-oxo-1-phenyl-3H-pyrrol-3-yl)acetate
SYSTEMATIC NAME: 2-(4-ethoxycarbonyl-5-methyl-2-oxidanylidene-1-phenyl-3H-pyrrol-3-yl)ethanoate
MOLECULAR FORMULA: C16H16NO5-
MOLECULAR WEIGHT: 302.30194
SMILES: CCOC(=O)C1=C(N(C(=O)C1CC(=O)[O-])C2=CC=CC=C2)C
Structure:
CAS RN: 5435-90-5
CAS Name: 2-[2,6-dichloro-4-[[2,4-dioxo-3-[2-oxo-2-(1-piperidinyl)ethyl]-5-thiazolidinylidene]methyl]phenoxy]acetic acid
OPENEYE Name: 2-[2,6-dichloro-4-[[2,4-dioxo-3-[2-oxo-2-(1-piperidyl)ethyl]thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
IUPAC Name: 2-[2,6-dichloro-4-[[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-[[2,4-bis(oxidanylidene)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,3-thiazolidin-5-ylidene]methyl]-2,6-bis(chloranyl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C19H18Cl2N2O6S
MOLECULAR WEIGHT: 473.32702
SMILES: C1CCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC(=O)O)Cl)SC2=O
Structure:
CAS RN: 5337-82-6
CAS Name: 3-(4-bromophenyl)-6-[(3-methyl-2-thiophenyl)methylidene]-5-thiazolo[2,3-c][1,2,4]triazolone
OPENEYE Name: 3-(4-bromophenyl)-6-[(3-methyl-2-thienyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one
IUPAC Name: 3-(4-bromophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SYSTEMATIC NAME: 3-(4-bromophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
MOLECULAR FORMULA: C16H10BrN3OS2
MOLECULAR WEIGHT: 404.3041
SMILES: CC1=C(SC=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=C(C=C4)Br
Structure:
CAS RN: 5337-21-3
CAS Name: 3-methoxy-N-[sulfanylidene-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)anilino]methyl]-2-naphthalenecarboxamide
OPENEYE Name: 3-methoxy-N-[[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
IUPAC Name: 3-methoxy-N-[[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
SYSTEMATIC NAME: 3-methoxy-N-[[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
MOLECULAR FORMULA: C22H16N6O2S2
MOLECULAR WEIGHT: 460.53144
SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)C4=NN5C=NN=C5S4
Structure:
CAS RN: 6113-26-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H50ClF3N2O5
MOLECULAR WEIGHT: 791.33711
SMILES: CC(C)NC(=O)N(CC1=CC=CC=C1)CC2(CCC3C2(CCC4C35C=CC6(C4(CCC(C6)O)C)C=C5C(=O)C7=CC=C(O7)C8=C(C=CC(=C8)C(F)(F)F)Cl)C)O
Structure:
CAS RN: 5540-08-9
CAS Name: N-(2-methoxyethyl)-4-(4-methoxy-3-methylphenyl)butanamide
OPENEYE Name: N-(2-methoxyethyl)-4-(4-methoxy-3-methyl-phenyl)butanamide
IUPAC Name: N-(2-methoxyethyl)-4-(4-methoxy-3-methylphenyl)butanamide
SYSTEMATIC NAME: N-(2-methoxyethyl)-4-(4-methoxy-3-methyl-phenyl)butanamide
MOLECULAR FORMULA: C15H23NO3
MOLECULAR WEIGHT: 265.34802
SMILES: CC1=C(C=CC(=C1)CCCC(=O)NCCOC)OC
Structure:
CAS RN: 6603-27-6
CAS Name: 2-[(6-chloro-2-imidazo[1,2-a]pyridinyl)methylthio]-3-(3-chloro-4-methylphenyl)-4-quinazolinone
OPENEYE Name: 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(3-chloro-4-methyl-phenyl)quinazolin-4-one
IUPAC Name: 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(3-chloro-4-methylphenyl)quinazolin-4-one
SYSTEMATIC NAME: 2-[(6-chloranylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(3-chloranyl-4-methyl-phenyl)quinazolin-4-one
MOLECULAR FORMULA: C23H16Cl2N4OS
MOLECULAR WEIGHT: 467.37034
SMILES: CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CN5C=C(C=CC5=N4)Cl)Cl
Structure:
CAS RN: 6529-72-2
CAS Name: 2,2-diethyl-1,3-dioxane
OPENEYE Name: 2,2-diethyl-1,3-dioxane
IUPAC Name: 2,2-diethyl-1,3-dioxane
SYSTEMATIC NAME: 2,2-diethyl-1,3-dioxane
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCC1(OCCCO1)CC
Structure:
CAS RN: 5810-61-7
CAS Name: N-(2-chlorophenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]-5-tetrazolyl]thio]acetamide
OPENEYE Name: N-(2-chlorophenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-acetamide
IUPAC Name: N-(2-chlorophenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[[1-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C16H11ClF3N5O2S
MOLECULAR WEIGHT: 429.80405
SMILES: C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F)Cl
Structure:
CAS RN: 5912-36-7
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(2-ethyl-1-oxohexyl)-(2-methylpropyl)amino]methyl]phenyl] ester
OPENEYE Name: [4-[[2-ethylhexanoyl(isobutyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
IUPAC Name: [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C26H34F3NO4S
MOLECULAR WEIGHT: 513.61267
SMILES: CCCCC(CC)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CC(C)C
Structure:
CAS RN: 6853-77-6
CAS Name: 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-2-thiazolidinylidene]acetamide
OPENEYE Name: 2-cyano-2-[5-[(2-nitrophenyl)methyl]-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene]acetamide
IUPAC Name: 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SYSTEMATIC NAME: 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanamide
MOLECULAR FORMULA: C20H16N4O4S
MOLECULAR WEIGHT: 408.43044
SMILES: CC1=CC=C(C=C1)N2C(=O)C(SC2=C(C#N)C(=O)N)CC3=CC=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 93107-30-3
CAS Name: 1-cyclopropyl-6,7-difluoro-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 1-cyclopropyl-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6,7-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C13H9F2NO3
MOLECULAR WEIGHT: 265.212266
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)F)F)C(=O)O
Structure:
CAS RN: 6770-45-2
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propyl-6-thieno[2,3-d]pyrimidinecarboxamide
OPENEYE Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide
IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-4-oxidanylidene-3-propyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C20H21N3O4S
MOLECULAR WEIGHT: 399.46344
SMILES: CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NCC3COC4=CC=CC=C4O3)C
Structure:
CAS RN: 6715-05-5
CAS Name: 5,6-dimethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-benzimidazole
OPENEYE Name: 5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole
IUPAC Name: 5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole
SYSTEMATIC NAME: 5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole
MOLECULAR FORMULA: C16H24N3S+
MOLECULAR WEIGHT: 290.44686
SMILES: CC1=CC2=C(C=C1C)N=C(N2)SCC[NH+]3CCCCC3
Structure:
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