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

Systemtic Name: 5-[(3-methylphenyl)methyl]-6-oxidanylidene-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-(m-tolylmethyl)-6-oxo-N-(2-thienylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-methylphenyl)methyl]-6-oxo-N-(thiophen-2-ylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-methylphenyl)methyl]-6-oxo-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(3-methylbenzyl)-N-(2-thenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H22N2O2S2 MolecularWeight: 470.60578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CS4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CS4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H22N2O2S2/c1-18-6-4-7-19(14-18)17-29-23-15-20(26(30)28-16-21-8-5-13-32-21)11-12-25(23)33-24-10-3-2-9-22(24)27(29)31/h2-15H,16-17H2,1H3,(H,28,30)