methyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-14-6-5-7-17(15(14)2)21-9-11-22(12-10-21)19(24)20-16(8-13-26-4)18(23)25-3/h5-7,16H,8-13H2,1-4H3,(H,20,24)