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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(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)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3OS2/c1-14-6-5-8-16-15(2)12-21(26-22(14)16)28-11-10-20(27)25-23-18(13-24)17-7-3-4-9-19(17)29-23/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,25,27)