(2S)-2-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-4-(methylthio)butyrate Formula: C16H21ClN3O3S- MolecularWeight: 370.87424

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H22ClN3O3S/c1-24-10-5-14(15(21)22)18-16(23)20-8-6-19(7-9-20)13-4-2-3-12(17)11-13/h2-4,11,14H,5-10H2,1H3,(H,18,23)(H,21,22)/p-1/t14-/m0/s1