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

Systemtic Name: 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Openeye Name: 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxamide IUPAC Name: 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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=CC=C4C)C(=C3)C

Isomeric SMILES

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

InChI

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