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

Systemtic Name: 6-cyclohexyl-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-cyclohexyl-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-cyclohexyl-N-(1-phenylethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-cyclohexyl-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-cyclohexyl-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H28N2OS MolecularWeight: 440.59972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5CCCCC5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5CCCCC5

InChI

InChI=1S/C28H28N2OS/c1-19(20-10-4-2-5-11-20)29-28(31)22-16-17-26-24(18-22)30-27(21-12-6-3-7-13-21)23-14-8-9-15-25(23)32-26/h2,4-5,8-11,14-19,21H,3,6-7,12-13H2,1H3,(H,29,31)