methyl 4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C17H24ClN3O2S MolecularWeight: 369.90936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H24ClN3O2S/c1-13-5-6-14(18)12-15(13)20-8-10-21(11-9-20)17(24)19-7-3-4-16(22)23-2/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,24)