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

Systemtic Name: 6-oxidanylidene-N-(3-phenylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-(3-phenylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-(3-phenylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(3-phenylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(3-phenylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H20N2O2S/c26-22(24-14-6-9-16-7-2-1-3-8-16)17-12-13-21-19(15-17)25-23(27)18-10-4-5-11-20(18)28-21/h1-5,7-8,10-13,15H,6,9,14H2,(H,24,26)(H,25,27)