N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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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=C(C=CC=C4C)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=C4C)C(=C3)C

InChI

InChI=1S/C27H25N3O2S2/c1-5-23(34-24-13-17(3)20-8-6-7-16(2)25(20)29-24)26(31)30-27-21(14-28)22(15-33-27)18-9-11-19(32-4)12-10-18/h6-13,15,23H,5H2,1-4H3,(H,30,31)