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

Systemtic Name: N-butyl-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-butyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-butyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-N-butyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O2S/c1-2-3-15-26-24(28)19-13-14-23-21(16-19)27(17-18-9-5-4-6-10-18)25(29)20-11-7-8-12-22(20)30-23/h4-14,16H,2-3,15,17H2,1H3,(H,26,28)