6-oxidanylidene-N-(1-phenylethyl)-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-(1-phenylethyl)-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-6-oxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-(1-phenylethyl)-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-oxo-N-(1-phenylethyl)-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-6-keto-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C25H22N2O2S/c1-3-15-27-21-16-19(24(28)26-17(2)18-9-5-4-6-10-18)13-14-23(21)30-22-12-8-7-11-20(22)25(27)29/h3-14,16-17H,1,15H2,2H3,(H,26,28)