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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methyl-2-oxidanylidene-quinolin-1-yl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-methyl-2-oxo-1-quinolyl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methyl-2-oxo-1-quinolinyl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-keto-4-methyl-1-quinolyl)propionamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=CC=CC=C12)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC(=O)N(C2=CC=CC=C12)CCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H21N3O2S/c1-14-12-21(27)25(18-8-4-2-6-15(14)18)11-10-20(26)24-22-17(13-23)16-7-3-5-9-19(16)28-22/h2,4,6,8,12H,3,5,7,9-11H2,1H3,(H,24,26)