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

Systemtic Name: N-cyclohexyl-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-cyclohexyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclohexyl-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-cyclohexyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-N-cyclohexyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O2S/c30-26(28-21-11-5-2-6-12-21)20-15-16-25-23(17-20)29(18-19-9-3-1-4-10-19)27(31)22-13-7-8-14-24(22)32-25/h1,3-4,7-10,13-17,21H,2,5-6,11-12,18H2,(H,28,30)