N-[4-(6H-benzo[b][1,4]benzothiazepin-5-ylcarbonyl)phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-(6H-benzo[b][1,4]benzothiazepin-5-ylcarbonyl)phenyl]-2-methyl-benzamide Openeye Name: N-[4-(6H-benzo[b][1,4]benzothiazepine-5-carbonyl)phenyl]-2-methyl-benzamide CAS Name: N-[4-[6H-benzo[b][1,4]benzothiazepin-5-yl(oxo)methyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-(6H-benzo[b][1,4]benzothiazepine-5-carbonyl)phenyl]-2-methylbenzamide Traditional Name: N-[4-(6H-benzo[b][1,4]benzothiazepine-5-carbonyl)phenyl]-2-methyl-benzamide Formula: C28H22N2O2S MolecularWeight: 450.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H22N2O2S/c1-19-8-2-4-10-23(19)27(31)29-22-16-14-20(15-17-22)28(32)30-18-21-9-3-6-12-25(21)33-26-13-7-5-11-24(26)30/h2-17H,18H2,1H3,(H,29,31)