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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H27ClN2O2S/c29-21-9-7-8-19(16-21)18-31-24-17-20(27(32)30-22-10-3-1-2-4-11-22)14-15-26(24)34-25-13-6-5-12-23(25)28(31)33/h5-9,12-17,22H,1-4,10-11,18H2,(H,30,32)