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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)C(C)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)C(C)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

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