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

Systemtic Name: methyl 6-[(4-piperidin-1-ylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(1-piperidyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-piperidin-1-ylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-piperidinophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H29N3O2S MolecularWeight: 363.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-24-18(23)8-4-2-5-13-20-19(25)21-16-9-11-17(12-10-16)22-14-6-3-7-15-22/h9-12H,2-8,13-15H2,1H3,(H2,20,21,25)