N-(2-methylcyclohexyl)-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-methylcyclohexyl)-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-(2-methylcyclohexyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-methylcyclohexyl)-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-(2-methylcyclohexyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-6-keto-N-(2-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O2S/c1-19-9-5-7-13-23(19)29-27(31)21-15-16-26-24(17-21)30(18-20-10-3-2-4-11-20)28(32)22-12-6-8-14-25(22)33-26/h2-4,6,8,10-12,14-17,19,23H,5,7,9,13,18H2,1H3,(H,29,31)