N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-[(8-methoxy-4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(8-methoxy-4-methyl-2-quinolyl)thio]butyramide Formula: C27H25N3O3S2 MolecularWeight: 503.6357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)SC3=NC4=C(C=CC=C4OC)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)SC3=NC4=C(C=CC=C4OC)C(=C3)C

InChI

InChI=1S/C27H25N3O3S2/c1-5-23(35-24-13-16(2)19-7-6-8-22(33-4)25(19)29-24)26(31)30-27-20(14-28)21(15-34-27)17-9-11-18(32-3)12-10-17/h6-13,15,23H,5H2,1-4H3,(H,30,31)