2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide

Systemtic Name: 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Openeye Name: 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxamide IUPAC Name: 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)N)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)N)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C27H27N3O2S2/c1-5-21(34-22-13-17(4)19-8-6-7-16(3)24(19)29-22)26(32)30-27-23(25(28)31)20(14-33-27)18-11-9-15(2)10-12-18/h6-14,21H,5H2,1-4H3,(H2,28,31)(H,30,32)