methyl 6-[[4-(3-chlorophenyl)piperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(3-chlorophenyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C18H26ClN3O2S MolecularWeight: 383.93594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H26ClN3O2S/c1-24-17(23)8-3-2-4-9-20-18(25)22-12-10-21(11-13-22)16-7-5-6-15(19)14-16/h5-7,14H,2-4,8-13H2,1H3,(H,20,25)