CAS RN: 68209-00-7
CAS Name: 1-piperidinyl-(3,4,5-trimethoxyphenyl)methanethione
OPENEYE Name: 1-piperidyl-(3,4,5-trimethoxyphenyl)methanethione
IUPAC Name: piperidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione
SYSTEMATIC NAME: piperidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione
MOLECULAR FORMULA: C15H21NO3S
MOLECULAR WEIGHT: 295.39714
SMILES: COC1=CC(=CC(=C1OC)OC)C(=S)N2CCCCC2
Structure:
CAS RN: 22347-29-1
CAS Name: 1-(4-bromophenyl)-2H-tetrazole-5-thione
OPENEYE Name: 1-(4-bromophenyl)-2H-tetrazole-5-thione
IUPAC Name: 1-(4-bromophenyl)-2H-tetrazole-5-thione
SYSTEMATIC NAME: 1-(4-bromophenyl)-2H-1,2,3,4-tetrazole-5-thione
MOLECULAR FORMULA: C7H5BrN4S
MOLECULAR WEIGHT: 257.1104
SMILES: C1=CC(=CC=C1N2C(=S)N=NN2)Br
Structure:
CAS RN: 95356-80-2
CAS Name: (6E)-6-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-thiazolo[2,3-c][1,2,4]triazolone
OPENEYE Name: (6E)-6-[[4-(diethylamino)phenyl]methylene]-3-methyl-thiazolo[2,3-c][1,2,4]triazol-5-one
IUPAC Name: (6E)-6-[[4-(diethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SYSTEMATIC NAME: (6E)-6-[[4-(diethylamino)phenyl]methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
MOLECULAR FORMULA: C16H18N4OS
MOLECULAR WEIGHT: 314.40532
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NN=C3S2)C
Structure:
CAS RN: 39974-94-2
CAS Name: 5-methoxy-1-methyl-3-indolecarboxaldehyde
OPENEYE Name: 5-methoxy-1-methyl-indole-3-carbaldehyde
IUPAC Name: 5-methoxy-1-methylindole-3-carbaldehyde
SYSTEMATIC NAME: 5-methoxy-1-methyl-indole-3-carbaldehyde
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CN1C=C(C2=C1C=CC(=C2)OC)C=O
Structure:
CAS RN: 7062-76-2
CAS Name: 3-[1-azepanyl(oxo)methyl]-2-benzothiopyran-1-one
OPENEYE Name: 3-(azepane-1-carbonyl)isothiochromen-1-one
IUPAC Name: 3-(azepane-1-carbonyl)isothiochromen-1-one
SYSTEMATIC NAME: 3-(azepan-1-ylcarbonyl)isothiochromen-1-one
MOLECULAR FORMULA: C16H17NO2S
MOLECULAR WEIGHT: 287.37668
SMILES: C1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)S2
Structure:
CAS RN: 53314-17-3
CAS Name: 2-(4-chlorophenyl)-6-methyl-1H-benzimidazole
OPENEYE Name: 2-(4-chlorophenyl)-6-methyl-1H-benzimidazole
IUPAC Name: 2-(4-chlorophenyl)-6-methyl-1H-benzimidazole
SYSTEMATIC NAME: 2-(4-chlorophenyl)-6-methyl-1H-benzimidazole
MOLECULAR FORMULA: C14H11ClN2
MOLECULAR WEIGHT: 242.70354
SMILES: CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 630091-54-2
CAS Name: 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
OPENEYE Name: 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
IUPAC Name: 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
SYSTEMATIC NAME: 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
MOLECULAR FORMULA: C10H13N3
MOLECULAR WEIGHT: 175.23032
SMILES: CC1=CC2=C(C=C1)N=C(N2)CCN
Structure:
CAS RN: 115087-90-6
CAS Name: (6-methyl-1H-benzimidazol-2-yl)methanamine
OPENEYE Name: (6-methyl-1H-benzimidazol-2-yl)methanamine
IUPAC Name: (6-methyl-1H-benzimidazol-2-yl)methanamine
SYSTEMATIC NAME: (6-methyl-1H-benzimidazol-2-yl)methanamine
MOLECULAR FORMULA: C9H11N3
MOLECULAR WEIGHT: 161.20374
SMILES: CC1=CC2=C(C=C1)N=C(N2)CN
Structure:
CAS RN: 7239-08-9
CAS Name: N-(4,5-dihydrothiazol-2-yl)-4-nitrobenzamide
OPENEYE Name: N-(4,5-dihydrothiazol-2-yl)-4-nitro-benzamide
IUPAC Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide
SYSTEMATIC NAME: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-nitro-benzamide
MOLECULAR FORMULA: C10H9N3O3S
MOLECULAR WEIGHT: 251.26176
SMILES: C1CSC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 72225-18-4
CAS Name: 4-chloro-N-(4,5-dihydrothiazol-2-yl)benzamide
OPENEYE Name: 4-chloro-N-(4,5-dihydrothiazol-2-yl)benzamide
IUPAC Name: 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
MOLECULAR FORMULA: C10H9ClN2OS
MOLECULAR WEIGHT: 240.70926
SMILES: C1CSC(=N1)NC(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 72225-20-8
CAS Name: 4-bromo-N-(4,5-dihydrothiazol-2-yl)benzamide
OPENEYE Name: 4-bromo-N-(4,5-dihydrothiazol-2-yl)benzamide
IUPAC Name: 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SYSTEMATIC NAME: 4-bromanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
MOLECULAR FORMULA: C10H9BrN2OS
MOLECULAR WEIGHT: 285.16026
SMILES: C1CSC(=N1)NC(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 67023-10-3
CAS Name: (E)-N-(2,3-dimethylphenyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(2,3-dimethylphenyl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(2,3-dimethylphenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(2,3-dimethylphenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C17H17NO
MOLECULAR WEIGHT: 251.32298
SMILES: CC1=C(C(=CC=C1)NC(=O)/C=C/C2=CC=CC=C2)C
Structure:
CAS RN: 105919-42-4
CAS Name: (E)-3-(4-fluorophenyl)-1-(4-morpholinyl)-2-propen-1-one
OPENEYE Name: (E)-3-(4-fluorophenyl)-1-morpholino-prop-2-en-1-one
IUPAC Name: (E)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-fluorophenyl)-1-morpholin-4-yl-prop-2-en-1-one
MOLECULAR FORMULA: C13H14FNO2
MOLECULAR WEIGHT: 235.254163
SMILES: C1COCCN1C(=O)/C=C/C2=CC=C(C=C2)F
Structure:
CAS RN: 14773-40-1
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenamide
OPENEYE Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)N)OC
Structure:
CAS RN: 85209-63-8
CAS Name: 2-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetate
IUPAC Name: ethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetate
SYSTEMATIC NAME: ethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethanoate
MOLECULAR FORMULA: C16H19NO2
MOLECULAR WEIGHT: 257.32756
SMILES: CCOC(=O)CC1=CC=C(C=C1)N2C(=CC=C2C)C
Structure:
CAS RN: 18166-63-7
CAS Name: (E)-3-(4-methoxyphenyl)-2-propenamide
OPENEYE Name: (E)-3-(4-methoxyphenyl)prop-2-enamide
IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-methoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)N
Structure:
CAS RN: 134615-83-1
CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide
OPENEYE Name: 2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetamide
IUPAC Name: 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: 2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanamide
MOLECULAR FORMULA: C17H15N3O2S
MOLECULAR WEIGHT: 325.3849
SMILES: CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N
Structure:
CAS RN: 4639-71-8
CAS Name: 5-[2-[(4-fluorophenyl)methylthio]phenyl]-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C15H12FN3S2
MOLECULAR WEIGHT: 317.404283
SMILES: C1=CC=C(C(=C1)C2=NN=C(S2)N)SCC3=CC=C(C=C3)F
Structure:
CAS RN: 5687-46-7
CAS Name: N-[2-(hydroxymethyl)phenyl]-2-(4-methoxyphenoxy)acetamide
OPENEYE Name: N-[2-(hydroxymethyl)phenyl]-2-(4-methoxyphenoxy)acetamide
IUPAC Name: N-[2-(hydroxymethyl)phenyl]-2-(4-methoxyphenoxy)acetamide
SYSTEMATIC NAME: N-[2-(hydroxymethyl)phenyl]-2-(4-methoxyphenoxy)ethanamide
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2CO
Structure:
CAS RN: 5935-44-4
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenylpyrrole
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrole
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenylpyrrole
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrole
MOLECULAR FORMULA: C18H15NO2
MOLECULAR WEIGHT: 277.3172
SMILES: CC1=CC=C(N1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4
Structure:
CAS RN: 13332-71-3
CAS Name: 4,5,5-trimethyl-2-oxo-3-furancarbonitrile
OPENEYE Name: 4,5,5-trimethyl-2-oxo-furan-3-carbonitrile
IUPAC Name: 4,5,5-trimethyl-2-oxofuran-3-carbonitrile
SYSTEMATIC NAME: 4,5,5-trimethyl-2-oxidanylidene-furan-3-carbonitrile
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: CC1=C(C(=O)OC1(C)C)C#N
Structure:
CAS RN: 84408-85-5
CAS Name: 2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide
OPENEYE Name: 2-hydroxy-2,2-bis(p-tolyl)acetohydrazide
IUPAC Name: 2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide
SYSTEMATIC NAME: 2,2-bis(4-methylphenyl)-2-oxidanyl-ethanehydrazide
MOLECULAR FORMULA: C16H18N2O2
MOLECULAR WEIGHT: 270.32632
SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)NN)O
Structure:
CAS RN: 148183-91-9
CAS Name: 2-(2,5-dimethylphenoxy)-1-(4-morpholinyl)ethanone
OPENEYE Name: 2-(2,5-dimethylphenoxy)-1-morpholino-ethanone
IUPAC Name: 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-(2,5-dimethylphenoxy)-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CC1=CC(=C(C=C1)C)OCC(=O)N2CCOCC2
Structure:
CAS RN: 6978-67-2
CAS Name: 4-[[[[3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide
OPENEYE Name: 4-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]benzamide
IUPAC Name: 4-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]benzamide
SYSTEMATIC NAME: 4-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]benzamide
MOLECULAR FORMULA: C17H14FN3O2S
MOLECULAR WEIGHT: 343.375363
SMILES: C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N)F
Structure:
CAS RN: 6978-70-7
CAS Name: 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]-2-propenamide
OPENEYE Name: 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]prop-2-enamide
IUPAC Name: 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]prop-2-enamide
SYSTEMATIC NAME: 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]prop-2-enamide
MOLECULAR FORMULA: C17H15FN2O2S
MOLECULAR WEIGHT: 330.376603
SMILES: C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)F)CO
Structure:
CAS RN: 6978-66-1
CAS Name: 3-(4-fluorophenyl)-N-[(4-hydroxyanilino)-sulfanylidenemethyl]-2-propenamide
OPENEYE Name: 3-(4-fluorophenyl)-N-[(4-hydroxyphenyl)carbamothioyl]prop-2-enamide
IUPAC Name: 3-(4-fluorophenyl)-N-[(4-hydroxyphenyl)carbamothioyl]prop-2-enamide
SYSTEMATIC NAME: 3-(4-fluorophenyl)-N-[(4-hydroxyphenyl)carbamothioyl]prop-2-enamide
MOLECULAR FORMULA: C16H13FN2O2S
MOLECULAR WEIGHT: 316.350023
SMILES: C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)O)F
Structure:
CAS RN: 6977-69-1
CAS Name: N-[2,3-dihydroindol-1-yl(sulfanylidene)methyl]-2-(2,5-dimethylphenoxy)acetamide
OPENEYE Name: 2-(2,5-dimethylphenoxy)-N-(indoline-1-carbothioyl)acetamide
IUPAC Name: N-(2,3-dihydroindole-1-carbothioyl)-2-(2,5-dimethylphenoxy)acetamide
SYSTEMATIC NAME: N-(2,3-dihydroindol-1-ylcarbothioyl)-2-(2,5-dimethylphenoxy)ethanamide
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)N2CCC3=CC=CC=C32
Structure:
CAS RN: 6977-67-9
CAS Name: 2-(2,5-dimethylphenoxy)-N-[4-morpholinyl(sulfanylidene)methyl]acetamide
OPENEYE Name: 2-(2,5-dimethylphenoxy)-N-(morpholine-4-carbothioyl)acetamide
IUPAC Name: 2-(2,5-dimethylphenoxy)-N-(morpholine-4-carbothioyl)acetamide
SYSTEMATIC NAME: 2-(2,5-dimethylphenoxy)-N-morpholin-4-ylcarbothioyl-ethanamide
MOLECULAR FORMULA: C15H20N2O3S
MOLECULAR WEIGHT: 308.3959
SMILES: CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)N2CCOCC2
Structure:
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