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

Systemtic Name: 5-[(3-chlorophenyl)methyl]-N-cyclopropyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl]-N-cyclopropyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-N-cyclopropyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-N-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(3-chlorobenzyl)-N-cyclopropyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H19ClN2O2S MolecularWeight: 434.93786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H19ClN2O2S/c25-17-5-3-4-15(12-17)14-27-20-13-16(23(28)26-18-9-10-18)8-11-22(20)30-21-7-2-1-6-19(21)24(27)29/h1-8,11-13,18H,9-10,14H2,(H,26,28)