N-[[(2R)-2-azanyl-3-[(2S)-2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl]propyl]sulfanylmethyl]ethanamide dihydrochloride

Systemtic Name: N-[[(2R)-2-azanyl-3-[(2S)-2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl]propyl]sulfanylmethyl]ethanamide dihydrochloride Openeye Name: N-[[(2R)-2-amino-3-[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]propyl]sulfanylmethyl]acetamide dihydrochloride CAS Name: N-[[[(2R)-2-amino-3-[(2S)-2-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]propyl]thio]methyl]acetamide dihydrochloride IUPAC Name: N-[[(2R)-2-amino-3-[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]propyl]sulfanylmethyl]acetamide dihydrochloride Traditional Name: N-[[[(2R)-2-amino-3-[(2S)-2-butyl-4-(1-naphthoyl)piperazino]propyl]thio]methyl]acetamide dihydrochloride Formula: C25H38Cl2N4O2S MolecularWeight: 529.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC(CSCNC(=O)C)N)C(=O)C2=CC=CC3=CC=CC=C32.Cl.Cl

Isomeric SMILES

CCCC[C@H]1CN(CCN1C[C@H](CSCNC(=O)C)N)C(=O)C2=CC=CC3=CC=CC=C32.Cl.Cl

InChI

InChI=1S/C25H36N4O2S.2ClH/c1-3-4-10-22-16-29(14-13-28(22)15-21(26)17-32-18-27-19(2)30)25(31)24-12-7-9-20-8-5-6-11-23(20)24;;/h5-9,11-12,21-22H,3-4,10,13-18,26H2,1-2H3,(H,27,30);2*1H/t21-,22+;;/m1../s1