6-oxidanylidene-N-(1-phenylbutan-2-yl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-(1-phenylbutan-2-yl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1-benzylpropyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-(1-phenylbutan-2-yl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(1-phenylbutan-2-yl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(1-benzylpropyl)-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H22N2O2S/c1-2-18(14-16-8-4-3-5-9-16)25-23(27)17-12-13-22-20(15-17)26-24(28)19-10-6-7-11-21(19)29-22/h3-13,15,18H,2,14H2,1H3,(H,25,27)(H,26,28)