5-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-chlorophenyl)methyl]-N-[2-(1-cyclohexenyl)ethyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-chlorobenzyl)-N-[2-(cyclohexen-1-yl)ethyl]-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H27ClN2O3S MolecularWeight: 519.05428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H27ClN2O3S/c30-23-13-10-21(11-14-23)19-32-25-18-22(28(33)31-17-16-20-6-2-1-3-7-20)12-15-27(25)36(35)26-9-5-4-8-24(26)29(32)34/h4-6,8-15,18H,1-3,7,16-17,19H2,(H,31,33)