N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C26H23N3O2S2 MolecularWeight: 473.60972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O2S2/c1-4-23(33-24-13-16(2)19-7-5-6-8-22(19)28-24)25(30)29-26-20(14-27)21(15-32-26)17-9-11-18(31-3)12-10-17/h5-13,15,23H,4H2,1-3H3,(H,29,30)