ethyl 4-(piperidin-1-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(piperidin-1-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1-piperidylcarbamothioylamino)benzoate CAS Name: 4-[[(1-piperidinylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(piperidin-1-ylcarbamothioylamino)benzoate Traditional Name: 4-(piperidinothiocarbamoylamino)benzoic acid ethyl ester Formula: C15H21N3O2S MolecularWeight: 307.41114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2CCCCC2

InChI

InChI=1S/C15H21N3O2S/c1-2-20-14(19)12-6-8-13(9-7-12)16-15(21)17-18-10-4-3-5-11-18/h6-9H,2-5,10-11H2,1H3,(H2,16,17,21)