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

Systemtic Name: N-(3-ethoxypropyl)-5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-ethoxypropyl)-5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-ethoxypropyl)-5-[(3-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-ethoxypropyl)-6-keto-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3S/c1-3-32-15-7-14-28-26(30)21-12-13-25-23(17-21)29(18-20-9-6-8-19(2)16-20)27(31)22-10-4-5-11-24(22)33-25/h4-6,8-13,16-17H,3,7,14-15,18H2,1-2H3,(H,28,30)