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

Systemtic Name: 6-ethyl-8-methyl-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H35N3OS MolecularWeight: 485.6834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3OS/c1-5-26-25-18-22(4)12-14-28(25)35-29-15-13-24(19-27(29)32-26)30(34)31-16-9-17-33(21(2)3)20-23-10-7-6-8-11-23/h6-8,10-15,18-19,21H,5,9,16-17,20H2,1-4H3,(H,31,34)