5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(3-methoxyphenyl)methyl]-6-oxidanylidene-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-methoxyphenyl)methyl]-6-oxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-methoxyphenyl)methyl]-6-oxo-N-(1-phenylethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-methoxyphenyl)methyl]-6-oxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-m-anisyl-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26N2O3S/c1-20(22-10-4-3-5-11-22)31-29(33)23-15-16-28-26(18-23)32(19-21-9-8-12-24(17-21)35-2)30(34)25-13-6-7-14-27(25)36-28/h3-18,20H,19H2,1-2H3,(H,31,33)