CAS RN: 5642-71-7
CAS Name: 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide
OPENEYE Name: 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-dioxo-isoindolin-5-yl)benzamide
IUPAC Name: 4-(dipropylsulfamoyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SYSTEMATIC NAME: 4-(dipropylsulfamoyl)-N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]benzamide
MOLECULAR FORMULA: C22H25N3O5S
MOLECULAR WEIGHT: 443.516
SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C
Structure:
CAS RN: 5642-10-4
CAS Name: N-[(phenylmethylene)amino]-2-(trifluoromethyl)aniline
OPENEYE Name: N-(benzylideneamino)-2-(trifluoromethyl)aniline
IUPAC Name: N-(benzylideneamino)-2-(trifluoromethyl)aniline
SYSTEMATIC NAME: N-[(phenylmethylidene)amino]-2-(trifluoromethyl)aniline
MOLECULAR FORMULA: C14H11F3N2
MOLECULAR WEIGHT: 264.24575
SMILES: C1=CC=C(C=C1)C=NNC2=CC=CC=C2C(F)(F)F
Structure:
CAS RN: 5638-42-6
CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester
OPENEYE Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate
IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C16H22N2O4S
MOLECULAR WEIGHT: 338.42188
SMILES: CC(C)CNC(=O)NC(=O)COC(=O)C1=CC2=C(S1)CCCC2
Structure:
CAS RN: 4823-31-8
CAS Name: 3-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
OPENEYE Name: 3-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
IUPAC Name: 3-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SYSTEMATIC NAME: 3-(4-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
MOLECULAR FORMULA: C25H18BrN3O4
MOLECULAR WEIGHT: 504.33212
SMILES: C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(C3=O)N(N=C4C5=CC=C(C=C5)Br)C6=CC=CC=C6
Structure:
CAS RN: 20446-90-6
CAS Name: N-diethoxyphosphorylmethanethioamide
OPENEYE Name: N-diethoxyphosphorylthioformamide
IUPAC Name: N-diethoxyphosphorylmethanethioamide
SYSTEMATIC NAME: N-diethoxyphosphorylmethanethioamide
MOLECULAR FORMULA: C5H12NO3PS
MOLECULAR WEIGHT: 197.192441
SMILES: CCOP(=O)(NC=S)OCC
Structure:
CAS RN: 61720-79-4
CAS Name: 1-(benzenecarbonothioyl)-3-(4-chlorophenyl)sulfonylurea
OPENEYE Name: 1-(benzenecarbonothioyl)-3-(4-chlorophenyl)sulfonyl-urea
IUPAC Name: 1-(benzenecarbonothioyl)-3-(4-chlorophenyl)sulfonylurea
SYSTEMATIC NAME: 1-(benzenecarbonothioyl)-3-(4-chlorophenyl)sulfonyl-urea
MOLECULAR FORMULA: C14H11ClN2O3S2
MOLECULAR WEIGHT: 354.83174
SMILES: C1=CC=C(C=C1)C(=S)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 3553-70-6
CAS Name: N-[(benzenecarbonothioylamino)-oxomethyl]benzamide
OPENEYE Name: N-(benzenecarbonothioylcarbamoyl)benzamide
IUPAC Name: N-(benzenecarbonothioylcarbamoyl)benzamide
SYSTEMATIC NAME: N-(benzenecarbonothioylcarbamoyl)benzamide
MOLECULAR FORMULA: C15H12N2O2S
MOLECULAR WEIGHT: 284.33298
SMILES: C1=CC=C(C=C1)C(=O)NC(=O)NC(=S)C2=CC=CC=C2
Structure:
CAS RN: 5777-02-6
CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]acetamide
OPENEYE Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide
IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide
SYSTEMATIC NAME: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]ethanamide
MOLECULAR FORMULA: C24H24N6O3S3
MOLECULAR WEIGHT: 540.68076
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCOCC4)C5=CC=CC=C5
Structure:
CAS RN: 5650-82-8
CAS Name: 1-(4-ethylphenyl)-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-propanone
OPENEYE Name: 1-(4-ethylphenyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
IUPAC Name: 1-(4-ethylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
SYSTEMATIC NAME: 1-(4-ethylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
MOLECULAR FORMULA: C25H24N4OS
MOLECULAR WEIGHT: 428.54926
SMILES: CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4
Structure:
CAS RN: 69243-63-6
CAS Name: N-(3,4-dichlorophenyl)carbamodithioic acid 1,3-benzodioxol-5-ylmethyl ester
OPENEYE Name: 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
IUPAC Name: 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
SYSTEMATIC NAME: 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
MOLECULAR FORMULA: C15H11Cl2NO2S2
MOLECULAR WEIGHT: 372.28934
SMILES: C1OC2=C(O1)C=C(C=C2)CSC(=S)NC3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 4891-44-5
CAS Name: 3-[(2,4-diphenyl-4H-1-benzopyran-3-yl)methylideneamino]-6,7-dimethoxy-2-methyl-4-quinazolinone
OPENEYE Name: 3-[(2,4-diphenyl-4H-chromen-3-yl)methyleneamino]-6,7-dimethoxy-2-methyl-quinazolin-4-one
IUPAC Name: 3-[(2,4-diphenyl-4H-chromen-3-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
SYSTEMATIC NAME: 3-[(2,4-diphenyl-4H-chromen-3-yl)methylideneamino]-6,7-dimethoxy-2-methyl-quinazolin-4-one
MOLECULAR FORMULA: C33H27N3O4
MOLECULAR WEIGHT: 529.58518
SMILES: CC1=NC2=CC(=C(C=C2C(=O)N1N=CC3=C(OC4=CC=CC=C4C3C5=CC=CC=C5)C6=CC=CC=C6)OC)OC
Structure:
CAS RN: 4887-76-7
CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylacetic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester
OPENEYE Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 2-(tert-butoxycarbonylamino)-2-phenyl-acetate
IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
SYSTEMATIC NAME: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoate
MOLECULAR FORMULA: C25H26ClNO6
MOLECULAR WEIGHT: 471.93004
SMILES: CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C3=CC=CC=C3)NC(=O)OC(C)(C)C
Structure:
CAS RN: 4719-69-1
CAS Name: N-[(2-chlorophenyl)methyl]-3-nitro-2-pyridinamine
OPENEYE Name: N-[(2-chlorophenyl)methyl]-3-nitro-pyridin-2-amine
IUPAC Name: N-[(2-chlorophenyl)methyl]-3-nitropyridin-2-amine
SYSTEMATIC NAME: N-[(2-chlorophenyl)methyl]-3-nitro-pyridin-2-amine
MOLECULAR FORMULA: C12H10ClN3O2
MOLECULAR WEIGHT: 263.6797
SMILES: C1=CC=C(C(=C1)CNC2=C(C=CC=N2)[N+](=O)[O-])Cl
Structure:
CAS RN: 5384-58-7
CAS Name: N-[(2,4-dichlorophenyl)methyl]-3-(2-furanyl)-2-propenamide
OPENEYE Name: N-[(2,4-dichlorophenyl)methyl]-3-(2-furyl)prop-2-enamide
IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
SYSTEMATIC NAME: N-[(2,4-dichlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C14H11Cl2NO2
MOLECULAR WEIGHT: 296.14864
SMILES: C1=COC(=C1)C=CC(=O)NCC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 5711-98-8
CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid [2-[[4-(4-fluorophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester
OPENEYE Name: [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
IUPAC Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
SYSTEMATIC NAME: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
MOLECULAR FORMULA: C25H21FN4O4S
MOLECULAR WEIGHT: 492.522043
SMILES: C1CCC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F)C(=O)N2CC1
Structure:
CAS RN: 4574-80-5
CAS Name: 1-(3-methoxyphenyl)-3-(1-methyl-3-indolyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(3-methoxyphenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
IUPAC Name: 1-(3-methoxyphenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C20H18N2O3
MOLECULAR WEIGHT: 334.36852
SMILES: CN1C=C(C2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC(=CC=C4)OC
Structure:
CAS RN: 5475-18-3
CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]propanamide
OPENEYE Name: 2-(4-chloro-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]propanamide
IUPAC Name: 2-(4-chloro-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
SYSTEMATIC NAME: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
MOLECULAR FORMULA: C20H25ClN2O3S2
MOLECULAR WEIGHT: 441.0071
SMILES: CC1=CC(=CC=C1)CSCCNC(=O)C(C)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C
Structure:
CAS RN: 4997-19-7
CAS Name: 1-[(4-bromophenyl)-(2,4-difluorophenyl)methyl]piperazine
OPENEYE Name: 1-[(4-bromophenyl)-(2,4-difluorophenyl)methyl]piperazine
IUPAC Name: 1-[(4-bromophenyl)-(2,4-difluorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[[2,4-bis(fluoranyl)phenyl]-(4-bromophenyl)methyl]piperazine
MOLECULAR FORMULA: C17H17BrF2N2
MOLECULAR WEIGHT: 367.231086
SMILES: C1CN(CCN1)C(C2=CC=C(C=C2)Br)C3=C(C=C(C=C3)F)F
Structure:
CAS RN: 5967-67-9
CAS Name: (4-bromophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]methanone
OPENEYE Name: (4-bromophenyl)-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
IUPAC Name: (4-bromophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
SYSTEMATIC NAME: (4-bromophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C21H21BrN4OS
MOLECULAR WEIGHT: 457.38664
SMILES: CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br
Structure:
CAS RN: 5967-06-6
CAS Name: N-hexyl-2-[4-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
OPENEYE Name: 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-hexyl-acetamide
IUPAC Name: 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-hexylacetamide
SYSTEMATIC NAME: N-hexyl-2-[4-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]ethanamide
MOLECULAR FORMULA: C23H27N3O2S
MOLECULAR WEIGHT: 409.54438
SMILES: CCCCCCNC(=O)CC1=CC=C(C=C1)OC2=NC(=NS2)CC3=CC=CC=C3
Structure:
CAS RN: 5378-88-1
CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-5-thiazolidinyl]-N-(2-chlorophenyl)acetamide
OPENEYE Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
SYSTEMATIC NAME: 2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)ethanamide
MOLECULAR FORMULA: C26H22ClN3O5S
MOLECULAR WEIGHT: 523.98798
SMILES: COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=CC=C3Cl)CC4=CC5=C(C=C4)OCO5
Structure:
CAS RN: 4714-17-4
CAS Name: 6-chloro-4-(4-chlorophenyl)-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-chloro-4-(4-chlorophenyl)-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate
IUPAC Name: ethyl 6-chloro-4-(4-chlorophenyl)-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-chloranyl-4-(4-chlorophenyl)-5-methanoyl-2-methyl-1,4-dihydropyridine-3-carboxylate
MOLECULAR FORMULA: C16H15Cl2NO3
MOLECULAR WEIGHT: 340.2012
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C=O)Cl)C
Structure:
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