N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-benzoyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-benzoyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-benzoyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5)C#N

InChI

InChI=1S/C26H23N3O2S/c27-15-21-20-12-6-7-13-23(20)32-25(21)28-24(30)22-14-18-10-4-5-11-19(18)16-29(22)26(31)17-8-2-1-3-9-17/h1-5,8-11,22H,6-7,12-14,16H2,(H,28,30)