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

Systemtic Name: N-cyclopentyl-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclopentyl-5-(o-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopentyl-5-[(2-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopentyl-5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclopentyl-6-keto-5-(2-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H26N2O2S/c1-18-8-2-3-9-20(18)17-29-23-16-19(26(30)28-21-10-4-5-11-21)14-15-25(23)32-24-13-7-6-12-22(24)27(29)31/h2-3,6-9,12-16,21H,4-5,10-11,17H2,1H3,(H,28,30)