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

Systemtic Name: 5-[(3-methylphenyl)methyl]-6-oxidanylidene-N-propan-2-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-isopropyl-5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-methylphenyl)methyl]-6-oxo-N-propan-2-yl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-methylphenyl)methyl]-6-oxo-N-propan-2-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-isopropyl-6-keto-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NC(C)C)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NC(C)C)SC4=CC=CC=C4C2=O

InChI

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