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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-benzoyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-benzoyl-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-benzoyl-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3S/c27-23(30)22-19-12-6-7-13-21(19)33-25(22)28-24(31)20-14-17-10-4-5-11-18(17)15-29(20)26(32)16-8-2-1-3-9-16/h1-5,8-11,20H,6-7,12-15H2,(H2,27,30)(H,28,31)