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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(8-methoxy-4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(8-methoxy-4-methyl-2-quinolyl)thio]propionamide Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C23H23N3O2S2/c1-14-12-21(26-22-15(14)7-5-8-18(22)28-2)29-11-10-20(27)25-23-17(13-24)16-6-3-4-9-19(16)30-23/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,25,27)