2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-(methylthio)butyric acid Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(CCSC)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(CCSC)C(=O)O)C

InChI

InChI=1S/C18H27N3O3S/c1-13-5-4-6-16(14(13)2)20-8-10-21(11-9-20)18(24)19-15(17(22)23)7-12-25-3/h4-6,15H,7-12H2,1-3H3,(H,19,24)(H,22,23)