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

Systemtic Name: N-cyclopentyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclopentyl-6-oxo-5-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopentyl-5-[(4-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopentyl-5-[(4-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclopentyl-6-keto-5-(4-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=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H26N2O2S/c1-18-10-12-19(13-11-18)17-29-23-16-20(26(30)28-21-6-2-3-7-21)14-15-25(23)32-24-9-5-4-8-22(24)27(29)31/h4-5,8-16,21H,2-3,6-7,17H2,1H3,(H,28,30)