4-(4-methylphenyl)-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 4-(4-methylphenyl)-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-(4-methylphenyl)-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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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=CC=CC=C4C(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2S2/c1-4-21(33-22-13-16(3)18-7-5-6-8-20(18)28-22)25(31)29-26-23(24(27)30)19(14-32-26)17-11-9-15(2)10-12-17/h5-14,21H,4H2,1-3H3,(H2,27,30)(H,29,31)