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

Systemtic Name: 5-[(2-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chlorophenyl)methyl]-N-cyclohexyl-N-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chlorobenzyl)-N-cyclohexyl-6-keto-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H27ClN2O2S MolecularWeight: 491.04418

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

InChI

InChI=1S/C28H27ClN2O2S/c1-30(21-10-3-2-4-11-21)27(32)19-15-16-26-24(17-19)31(18-20-9-5-7-13-23(20)29)28(33)22-12-6-8-14-25(22)34-26/h5-9,12-17,21H,2-4,10-11,18H2,1H3