methyl 6-[(5-chloranyl-2-piperidin-1-yl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(5-chloranyl-2-piperidin-1-yl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[[5-chloro-2-(1-piperidyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[5-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-chloro-2-piperidin-1-ylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(5-chloro-2-piperidino-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H28ClN3O2S MolecularWeight: 397.96252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCC2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCC2

InChI

InChI=1S/C19H28ClN3O2S/c1-25-18(24)8-4-2-5-11-21-19(26)22-16-14-15(20)9-10-17(16)23-12-6-3-7-13-23/h9-10,14H,2-8,11-13H2,1H3,(H2,21,22,26)