N-butyl-N-methyl-6,11-bis(oxidanylidene)-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-N-methyl-6,11-bis(oxidanylidene)-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-butyl-N-methyl-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-N-methyl-6,11-dioxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-butyl-N-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-N-butyl-6,11-diketo-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCCCN(C)C(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S/c1-3-4-16-27(2)25(29)20-14-15-24-22(17-20)28(18-19-10-6-5-7-11-19)26(30)21-12-8-9-13-23(21)32(24)31/h5-15,17H,3-4,16,18H2,1-2H3