6-chloranyl-N-(2-oxidanylideneazepan-3-yl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-chloranyl-N-(2-oxidanylideneazepan-3-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-chloro-N-(2-oxoazepan-3-yl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-chloro-N-(2-oxo-3-azepanyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-chloro-N-(2-oxoazepan-3-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-chloro-N-(2-ketoazepan-3-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)Cl

InChI

InChI=1S/C20H18ClN3O2S/c21-18-13-5-1-2-7-16(13)27-17-9-8-12(11-15(17)23-18)19(25)24-14-6-3-4-10-22-20(14)26/h1-2,5,7-9,11,14H,3-4,6,10H2,(H,22,26)(H,24,25)