N,N-diethyl-1-(2-methylpropoxy)-3-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-2-amine

Systemtic Name: N,N-diethyl-1-(2-methylpropoxy)-3-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-2-amine Openeye Name: N,N-diethyl-1-isobutoxy-3-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-2-amine CAS Name: N,N-diethyl-1-(2-methylpropoxy)-3-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-propanamine IUPAC Name: N,N-diethyl-1-(2-methylpropoxy)-3-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-2-amine Traditional Name: diethyl-[1-(isobutoxymethyl)-2-(4-phenyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]amine Formula: C26H38N2OS MolecularWeight: 426.65772

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CN1C(CCSC2=CC=CC=C21)C3=CC=CC=C3)COCC(C)C

Isomeric SMILES

CCN(CC)C(CN1C(CCSC2=CC=CC=C21)C3=CC=CC=C3)COCC(C)C

InChI

InChI=1S/C26H38N2OS/c1-5-27(6-2)23(20-29-19-21(3)4)18-28-24(22-12-8-7-9-13-22)16-17-30-26-15-11-10-14-25(26)28/h7-15,21,23-24H,5-6,16-20H2,1-4H3