N-cyclopentyl-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cyclopentyl-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-cyclopentyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopentyl-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-cyclopentyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-N-cyclopentyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H24N2O2S/c29-25(27-20-10-4-5-11-20)19-14-15-24-22(16-19)28(17-18-8-2-1-3-9-18)26(30)21-12-6-7-13-23(21)31-24/h1-3,6-9,12-16,20H,4-5,10-11,17H2,(H,27,29)