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

Systemtic Name: N-(3-methoxypropyl)-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-(3-methoxypropyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-methoxypropyl)-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-(3-methoxypropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-6-keto-N-(3-methoxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

COCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S/c1-30-15-7-14-26-24(28)19-12-13-23-21(16-19)27(17-18-8-3-2-4-9-18)25(29)20-10-5-6-11-22(20)31-23/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,26,28)