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

Systemtic Name: 5-[(3-methylphenyl)methyl]-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-(m-tolylmethyl)-6-oxo-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-methylphenyl)methyl]-6-oxo-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-methylphenyl)methyl]-6-oxo-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(3-methylbenzyl)-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H26N2O2S MolecularWeight: 478.60464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C30H26N2O2S/c1-21-8-7-11-23(18-21)20-32-26-19-24(29(33)31-17-16-22-9-3-2-4-10-22)14-15-28(26)35-27-13-6-5-12-25(27)30(32)34/h2-15,18-19H,16-17,20H2,1H3,(H,31,33)