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

Systemtic Name: N-(3-methoxypropyl)-5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-methoxypropyl)-5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-methoxypropyl)-5-[(3-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-methoxypropyl)-5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(3-methoxypropyl)-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3S/c1-18-7-5-8-19(15-18)17-28-22-16-20(25(29)27-13-6-14-31-2)11-12-24(22)32-23-10-4-3-9-21(23)26(28)30/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,27,29)