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

Systemtic Name: 5-[(3-chlorophenyl)methyl]-6-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl]-6-oxo-N-(3-pyrrolidin-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-6-oxo-N-[3-(1-pyrrolidinyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-6-oxo-N-(3-pyrrolidin-1-ylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(3-chlorobenzyl)-6-keto-N-(3-pyrrolidinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H28ClN3O2S MolecularWeight: 506.05882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCN(C1)CCCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H28ClN3O2S/c29-22-8-5-7-20(17-22)19-32-24-18-21(27(33)30-13-6-16-31-14-3-4-15-31)11-12-26(24)35-25-10-2-1-9-23(25)28(32)34/h1-2,5,7-12,17-18H,3-4,6,13-16,19H2,(H,30,33)