CAS RN: 5843-89-0
CAS Name: N-(3-dibenzofuranyl)-2-benzofurancarboxamide
OPENEYE Name: N-dibenzofuran-3-ylbenzofuran-2-carboxamide
IUPAC Name: N-dibenzofuran-3-yl-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: N-dibenzofuran-3-yl-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C21H13NO3
MOLECULAR WEIGHT: 327.33282
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4
Structure:
CAS RN: 5843-21-0
CAS Name: 1-(4-methoxyphenyl)-2-(1-methyl-5-triazolo[4,5-c]pyridin-5-iumyl)ethanone bromide
OPENEYE Name: 1-(4-methoxyphenyl)-2-(1-methyltriazolo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide
IUPAC Name: 1-(4-methoxyphenyl)-2-(1-methyltriazolo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2-(1-methyl-[1,2,3]triazolo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide
MOLECULAR FORMULA: C15H15BrN4O2
MOLECULAR WEIGHT: 363.2092
SMILES: CN1C2=C(C=[N+](C=C2)CC(=O)C3=CC=C(C=C3)OC)N=N1.[Br-]
Structure:
CAS RN: 5789-24-2
CAS Name: 5-(1H-indol-3-ylmethyl)-3-phenyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-(1H-indol-3-ylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-(1H-indol-3-ylmethyl)-3-phenyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C18H15N3OS
MOLECULAR WEIGHT: 321.3962
SMILES: C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC3=CNC4=CC=CC=C43
Structure:
CAS RN: 5624-27-1
CAS Name: 3-(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl)propanoic acid
OPENEYE Name: 3-(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)propanoic acid
IUPAC Name: 3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid
SYSTEMATIC NAME: 3-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl)propanoic acid
MOLECULAR FORMULA: C12H12N2O3S
MOLECULAR WEIGHT: 264.30028
SMILES: C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCC(=O)O
Structure:
CAS RN: 5842-58-0
CAS Name: 1-[5-fluoro-4-[4-(2-fluoro-5-methyl-4-nitrophenyl)-1-piperazinyl]-2-methylphenyl]ethanone
OPENEYE Name: 1-[5-fluoro-4-[4-(2-fluoro-5-methyl-4-nitro-phenyl)piperazin-1-yl]-2-methyl-phenyl]ethanone
IUPAC Name: 1-[5-fluoro-4-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]-2-methylphenyl]ethanone
SYSTEMATIC NAME: 1-[5-fluoranyl-4-[4-(2-fluoranyl-5-methyl-4-nitro-phenyl)piperazin-1-yl]-2-methyl-phenyl]ethanone
MOLECULAR FORMULA: C20H21F2N3O3
MOLECULAR WEIGHT: 389.395846
SMILES: CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C3=C(C=C(C(=C3)C)[N+](=O)[O-])F
Structure:
CAS RN: 5842-50-2
CAS Name: N-(4-acetylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
OPENEYE Name: N-(4-acetylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC Name: N-(4-acetylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: 5-(3,4-dimethoxyphenyl)-N-(4-ethanoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C24H19F3N4O4
MOLECULAR WEIGHT: 484.42727
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC(=C(C=C4)OC)OC
Structure:
CAS RN: 25759-76-6
CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]butanoic acid
OPENEYE Name: 4-(phenylcarbamothioylamino)butanoic acid
IUPAC Name: 4-(phenylcarbamothioylamino)butanoic acid
SYSTEMATIC NAME: 4-(phenylcarbamothioylamino)butanoic acid
MOLECULAR FORMULA: C11H14N2O2S
MOLECULAR WEIGHT: 238.30606
SMILES: C1=CC=C(C=C1)NC(=S)NCCCC(=O)O
Structure:
CAS RN: 5840-58-4
CAS Name: 2-[(2,4-dioxo-3-phenyl-5-thiazolidinyl)-methylamino]benzoic acid
OPENEYE Name: 2-[(2,4-dioxo-3-phenyl-thiazolidin-5-yl)-methyl-amino]benzoic acid
IUPAC Name: 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-methylamino]benzoic acid
SYSTEMATIC NAME: 2-[[2,4-bis(oxidanylidene)-3-phenyl-1,3-thiazolidin-5-yl]-methyl-amino]benzoic acid
MOLECULAR FORMULA: C17H14N2O4S
MOLECULAR WEIGHT: 342.36906
SMILES: CN(C1C(=O)N(C(=O)S1)C2=CC=CC=C2)C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 4370-90-5
CAS Name: 5-[2-(methylthio)ethyl]-3-phenyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-(2-methylsulfanylethyl)-3-phenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C12H14N2OS2
MOLECULAR WEIGHT: 266.38236
SMILES: CSCCC1C(=O)N(C(=S)N1)C2=CC=CC=C2
Structure:
CAS RN: 5840-40-4
CAS Name: 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzamide
OPENEYE Name: 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-benzamide
IUPAC Name: 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzamide
SYSTEMATIC NAME: 3-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-benzamide
MOLECULAR FORMULA: C17H16BrNO4
MOLECULAR WEIGHT: 378.21724
SMILES: CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)Br
Structure:
CAS RN: 5840-36-8
CAS Name: acetic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] ester
OPENEYE Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] acetate
IUPAC Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] acetate
SYSTEMATIC NAME: [4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)phenyl] ethanoate
MOLECULAR FORMULA: C14H15N3O4S
MOLECULAR WEIGHT: 321.3516
SMILES: CC(=O)NC1=NN(C(S1)C2=CC=C(C=C2)OC(=O)C)C(=O)C
Structure:
CAS RN: 5624-13-5
CAS Name: 2-(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl)acetic acid
OPENEYE Name: 2-(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)acetic acid
IUPAC Name: 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetic acid
SYSTEMATIC NAME: 2-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl)ethanoic acid
MOLECULAR FORMULA: C11H10N2O3S
MOLECULAR WEIGHT: 250.2737
SMILES: C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)O
Structure:
CAS RN: 5839-71-4
CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-methylpentanoic acid
OPENEYE Name: 3-methyl-2-(phenylcarbamothioylamino)pentanoic acid
IUPAC Name: 3-methyl-2-(phenylcarbamothioylamino)pentanoic acid
SYSTEMATIC NAME: 3-methyl-2-(phenylcarbamothioylamino)pentanoic acid
MOLECULAR FORMULA: C13H18N2O2S
MOLECULAR WEIGHT: 266.35922
SMILES: CCC(C)C(C(=O)O)NC(=S)NC1=CC=CC=C1
Structure:
CAS RN: 5839-33-8
CAS Name: 2-(hydroxyamino)-2-methyl-1-(4-methylphenyl)-1-propanone hydrochloride
OPENEYE Name: 2-(hydroxyamino)-2-methyl-1-(p-tolyl)propan-1-one hydrochloride
IUPAC Name: 2-(hydroxyamino)-2-methyl-1-(4-methylphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 2-methyl-1-(4-methylphenyl)-2-(oxidanylamino)propan-1-one hydrochloride
MOLECULAR FORMULA: C11H16ClNO2
MOLECULAR WEIGHT: 229.70324
SMILES: CC1=CC=C(C=C1)C(=O)C(C)(C)NO.Cl
Structure:
CAS RN: 5838-24-4
CAS Name: 3-methoxy-N-[4-(1-oxopropylamino)phenyl]-2-naphthalenecarboxamide
OPENEYE Name: 3-methoxy-N-[4-(propanoylamino)phenyl]naphthalene-2-carboxamide
IUPAC Name: 3-methoxy-N-[4-(propanoylamino)phenyl]naphthalene-2-carboxamide
SYSTEMATIC NAME: 3-methoxy-N-[4-(propanoylamino)phenyl]naphthalene-2-carboxamide
MOLECULAR FORMULA: C21H20N2O3
MOLECULAR WEIGHT: 348.3951
SMILES: CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC
Structure:
CAS RN: 4332-97-2
CAS Name: 3-phenyl-5-(phenylmethyl)-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-benzyl-3-phenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 3-phenyl-5-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C16H14N2OS
MOLECULAR WEIGHT: 282.36016
SMILES: C1=CC=C(C=C1)CC2C(=O)N(C(=S)N2)C3=CC=CC=C3
Structure:
CAS RN: 5836-86-2
CAS Name: 2-(2,6-dichlorophenyl)-3-[3-(dimethylamino)propyl]-5-methyl-4-thiazolidinone hydrochloride
OPENEYE Name: 2-(2,6-dichlorophenyl)-3-[3-(dimethylamino)propyl]-5-methyl-thiazolidin-4-one hydrochloride
IUPAC Name: 2-(2,6-dichlorophenyl)-3-[3-(dimethylamino)propyl]-5-methyl-1,3-thiazolidin-4-one hydrochloride
SYSTEMATIC NAME: 2-[2,6-bis(chloranyl)phenyl]-3-[3-(dimethylamino)propyl]-5-methyl-1,3-thiazolidin-4-one hydrochloride
MOLECULAR FORMULA: C15H21Cl3N2OS
MOLECULAR WEIGHT: 383.76404
SMILES: CC1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)CCCN(C)C.Cl
Structure:
CAS RN: 5836-53-3
CAS Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
OPENEYE Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
IUPAC Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
SYSTEMATIC NAME: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: CCCC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C
Structure:
CAS RN: 5835-76-7
CAS Name: 5-methyl-3-(2-methylpropyl)-5-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-oxolanone
OPENEYE Name: 3-isobutyl-5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]tetrahydrofuran-2-one
IUPAC Name: 5-methyl-3-(2-methylpropyl)-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxolan-2-one
SYSTEMATIC NAME: 5-methyl-3-(2-methylpropyl)-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]oxolan-2-one
MOLECULAR FORMULA: C19H23N3O3S
MOLECULAR WEIGHT: 373.46922
SMILES: CC(C)CC1CC(OC1=O)(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3
Structure:
CAS RN: 5831-05-0
CAS Name: N-[1-(1-adamantyl)ethyl]-2,5-dimethyl-3-furancarboxamide
OPENEYE Name: N-[1-(1-adamantyl)ethyl]-2,5-dimethyl-furan-3-carboxamide
IUPAC Name: N-[1-(1-adamantyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SYSTEMATIC NAME: N-[1-(1-adamantyl)ethyl]-2,5-dimethyl-furan-3-carboxamide
MOLECULAR FORMULA: C19H27NO2
MOLECULAR WEIGHT: 301.42318
SMILES: CC1=CC(=C(O1)C)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 5823-84-7
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4-sulfamoylphenyl)butanamide
OPENEYE Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
MOLECULAR FORMULA: C16H20N4O3S2
MOLECULAR WEIGHT: 380.485
SMILES: CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=CC(=N2)C)C
Structure:
CAS RN: 5821-84-1
CAS Name: [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-(2-methyl-1-piperidinyl)methanone
OPENEYE Name: [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methyl-1-piperidyl)methanone
IUPAC Name: [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methylpiperidin-1-yl)methanone
SYSTEMATIC NAME: [3-chloranyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C21H20ClF3N4O2
MOLECULAR WEIGHT: 452.85731
SMILES: CC1CCCCN1C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)OC)C(F)(F)F
Structure:
CAS RN: 5821-64-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H23NO3
MOLECULAR WEIGHT: 421.48712
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C
Structure:
CAS RN: 5821-32-9
CAS Name: 5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC Name: ethyl 5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 5-(2,5-dimethoxyphenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C18H20N2O5S
MOLECULAR WEIGHT: 376.4268
SMILES: CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)CS2)C
Structure:
CAS RN: 5820-62-2
CAS Name: 5-(4-methylphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
OPENEYE Name: 5-(p-tolyl)-N-(tetrahydrofuran-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC Name: 5-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: 5-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C20H19F3N4O2
MOLECULAR WEIGHT: 404.38567
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)NCC4CCCO4
Structure:
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