5-[(3-chlorophenyl)methyl]-6-oxidanylidene-N-propan-2-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(3-chlorophenyl)methyl]-6-oxidanylidene-N-propan-2-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl]-N-isopropyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-6-oxo-N-propan-2-yl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-6-oxo-N-propan-2-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(3-chlorobenzyl)-N-isopropyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21ClN2O2S MolecularWeight: 436.95374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H21ClN2O2S/c1-15(2)26-23(28)17-10-11-22-20(13-17)27(14-16-6-5-7-18(25)12-16)24(29)19-8-3-4-9-21(19)30-22/h3-13,15H,14H2,1-2H3,(H,26,28)