1-(6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepin-3-yl)carbonylpiperidine-4-carboxamide

Systemtic Name: 1-(6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepin-3-yl)carbonylpiperidine-4-carboxamide Openeye Name: 1-(5-allyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo-(6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(5-allyl-6-keto-benzo[b][1,4]benzothiazepine-3-carbonyl)isonipecotamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)N)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)N)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H23N3O3S/c1-2-11-26-18-14-16(22(28)25-12-9-15(10-13-25)21(24)27)7-8-20(18)30-19-6-4-3-5-17(19)23(26)29/h2-8,14-15H,1,9-13H2,(H2,24,27)