N-(4-phenylbutan-2-yl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(4-phenylbutan-2-yl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(4-phenylbutan-2-yl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(4-phenylbutan-2-yl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NC(C)CCC3=CC=CC=C3)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NC(C)CCC3=CC=CC=C3)SC4=CC=CC=C41

InChI

InChI=1S/C27H28N2OS/c1-3-9-23-22-12-7-8-13-25(22)31-26-17-16-21(18-24(26)29-23)27(30)28-19(2)14-15-20-10-5-4-6-11-20/h4-8,10-13,16-19H,3,9,14-15H2,1-2H3,(H,28,30)