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

Systemtic Name: N-cyclopropyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclopropyl-5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopropyl-5-[(3-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopropyl-5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclopropyl-6-keto-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H22N2O2S MolecularWeight: 414.51938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C25H22N2O2S/c1-16-5-4-6-17(13-16)15-27-21-14-18(24(28)26-19-10-11-19)9-12-23(21)30-22-8-3-2-7-20(22)25(27)29/h2-9,12-14,19H,10-11,15H2,1H3,(H,26,28)