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

Systemtic Name: N-cyclohexyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclohexyl-6-oxo-5-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclohexyl-5-[(4-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclohexyl-5-[(4-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclohexyl-6-keto-5-(4-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C28H28N2O2S/c1-19-11-13-20(14-12-19)18-30-24-17-21(27(31)29-22-7-3-2-4-8-22)15-16-26(24)33-25-10-6-5-9-23(25)28(30)32/h5-6,9-17,22H,2-4,7-8,18H2,1H3,(H,29,31)