N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-[(4,6,8-trimethyl-2-quinolyl)thio]butyramide Formula: C28H27N3O2S2 MolecularWeight: 501.66288

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O2S2/c1-6-24(35-25-13-17(3)21-12-16(2)11-18(4)26(21)30-25)27(32)31-28-22(14-29)23(15-34-28)19-7-9-20(33-5)10-8-19/h7-13,15,24H,6H2,1-5H3,(H,31,32)