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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C24H25N3OS2 MolecularWeight: 435.6048

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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=CC=C4C)C(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3OS2/c1-4-19(29-21-12-15(3)16-10-7-8-14(2)22(16)26-21)23(28)27-24-18(13-25)17-9-5-6-11-20(17)30-24/h7-8,10,12,19H,4-6,9,11H2,1-3H3,(H,27,28)