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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NC(C)CCC4=CC=CC=C4)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NC(C)CCC4=CC=CC=C4)SC2=C(C=C1)C)C

InChI

InChI=1S/C27H28N2OS/c1-17-10-11-18(2)26-25(17)20(4)29-23-16-22(14-15-24(23)31-26)27(30)28-19(3)12-13-21-8-6-5-7-9-21/h5-11,14-16,19H,12-13H2,1-4H3,(H,28,30)