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

Systemtic Name: 5-[(3-methylphenyl)methyl]-6-oxidanylidene-N-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-(m-tolylmethyl)-6-oxo-N-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-methylphenyl)methyl]-6-oxo-N-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-methylphenyl)methyl]-6-oxo-N-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(3-methylbenzyl)-N-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC(=C4)C

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC(=C4)C

InChI

InChI=1S/C25H24N2O2S/c1-3-13-26-24(28)19-11-12-23-21(15-19)27(16-18-8-6-7-17(2)14-18)25(29)20-9-4-5-10-22(20)30-23/h4-12,14-15H,3,13,16H2,1-2H3,(H,26,28)