N-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

Systemtic Name: N-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide Openeye Name: N-(5-benzyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide CAS Name: N-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]-3,4-dihydro-2H-quinoline-1-carboxamide IUPAC Name: N-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide Traditional Name: N-(5-benzyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide Formula: C30H25N3O2S MolecularWeight: 491.6034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)NC3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC6=CC=CC=C6

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)NC3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4CC6=CC=CC=C6

InChI

InChI=1S/C30H25N3O2S/c34-29-24-13-5-7-15-27(24)36-28-17-16-23(19-26(28)33(29)20-21-9-2-1-3-10-21)31-30(35)32-18-8-12-22-11-4-6-14-25(22)32/h1-7,9-11,13-17,19H,8,12,18,20H2,(H,31,35)