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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)OC

InChI

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