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

Systemtic Name: N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-isopentyl-5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-methylbutyl)-5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-isoamyl-6-keto-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2S/c1-18(2)13-14-28-26(30)21-11-12-25-23(16-21)29(17-20-8-6-7-19(3)15-20)27(31)22-9-4-5-10-24(22)32-25/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,28,30)