N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]butyramide Formula: C25H27N3OS2 MolecularWeight: 449.63138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C25H27N3OS2/c1-5-20(24(29)28-25-19(13-26)17-8-6-7-9-21(17)31-25)30-22-12-15(3)18-11-14(2)10-16(4)23(18)27-22/h10-12,20H,5-9H2,1-4H3,(H,28,29)