methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]carbamothioylamino]hexanoate CAS Name: 6-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]carbamothioylamino]hexanoate Traditional Name: 6-[[1-(4-chlorobenzyl)-4-piperidyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H30ClN3O2S MolecularWeight: 411.9891

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1CCN(CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1CCN(CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H30ClN3O2S/c1-26-19(25)5-3-2-4-12-22-20(27)23-18-10-13-24(14-11-18)15-16-6-8-17(21)9-7-16/h6-9,18H,2-5,10-15H2,1H3,(H2,22,23,27)