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

Systemtic Name: N-[[(2R)-2-azanyl-3-[(2S)-2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl]propyl]sulfanylmethyl]ethanamide Openeye Name: N-[[(2R)-2-amino-3-[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]propyl]sulfanylmethyl]acetamide CAS Name: N-[[[(2R)-2-amino-3-[(2S)-2-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]propyl]thio]methyl]acetamide IUPAC Name: N-[[(2R)-2-amino-3-[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]propyl]sulfanylmethyl]acetamide Traditional Name: N-[[[(2R)-2-amino-3-[(2S)-2-butyl-4-(1-naphthoyl)piperazino]propyl]thio]methyl]acetamide Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O2S/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)/t21-,22+/m1/s1