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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C23H23N3OS2 MolecularWeight: 421.57822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C23H23N3OS2/c1-13-7-6-9-16-14(2)11-20(25-21(13)16)28-15(3)22(27)26-23-18(12-24)17-8-4-5-10-19(17)29-23/h6-7,9,11,15H,4-5,8,10H2,1-3H3,(H,26,27)