N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-cinchoninamide Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C20H17N3OS/c1-12-10-15(13-6-2-4-8-17(13)22-12)19(24)23-20-16(11-21)14-7-3-5-9-18(14)25-20/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,23,24)