6-ethyl-8-methyl-N-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethyl-8-methyl-N-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-[benzyl(isopropyl)amino]ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-[benzyl(propan-2-yl)amino]ethyl]-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-[benzyl(isopropyl)amino]ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H33N3OS MolecularWeight: 471.65682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN(CC3=CC=CC=C3)C(C)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN(CC3=CC=CC=C3)C(C)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C29H33N3OS/c1-5-25-24-17-21(4)11-13-27(24)34-28-14-12-23(18-26(28)31-25)29(33)30-15-16-32(20(2)3)19-22-9-7-6-8-10-22/h6-14,17-18,20H,5,15-16,19H2,1-4H3,(H,30,33)