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

Systemtic Name: 5-[(3-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-N-[2-(1-cyclohexenyl)ethyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(3-chlorobenzyl)-N-[2-(cyclohexen-1-yl)ethyl]-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H27ClN2O2S MolecularWeight: 503.05488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H27ClN2O2S/c30-23-10-6-9-21(17-23)19-32-25-18-22(28(33)31-16-15-20-7-2-1-3-8-20)13-14-27(25)35-26-12-5-4-11-24(26)29(32)34/h4-7,9-14,17-18H,1-3,8,15-16,19H2,(H,31,33)