6,7,10-trimethyl-N-(1-phenylbutan-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6,7,10-trimethyl-N-(1-phenylbutan-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1-benzylpropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6,7,10-trimethyl-N-(1-phenylbutan-2-yl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6,7,10-trimethyl-N-(1-phenylbutan-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(1-benzylpropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=C(C=CC(=C4C(=N3)C)C)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC4=C(C=CC(=C4C(=N3)C)C)C

InChI

InChI=1S/C27H28N2OS/c1-5-22(15-20-9-7-6-8-10-20)29-27(30)21-13-14-24-23(16-21)28-19(4)25-17(2)11-12-18(3)26(25)31-24/h6-14,16,22H,5,15H2,1-4H3,(H,29,30)