2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]ethanamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]acetamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCNC(=O)CN1C(=O)CCSC2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCCNC(=O)CN1C(=O)CCSC2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-19(2)26(17-20-9-4-3-5-10-20)15-8-14-25-23(28)18-27-21-11-6-7-12-22(21)30-16-13-24(27)29/h3-7,9-12,19H,8,13-18H2,1-2H3,(H,25,28)