4-(4-methylphenyl)-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 4-(p-tolyl)-2-[3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-(4-methylphenyl)-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 4-(p-tolyl)-2-[3-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]thiophene-3-carboxamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCSC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C27H27N3O2S2/c1-15-5-7-19(8-6-15)21-14-34-27(24(21)26(28)32)29-22(31)9-10-33-23-13-17(3)20-12-16(2)11-18(4)25(20)30-23/h5-8,11-14H,9-10H2,1-4H3,(H2,28,32)(H,29,31)