ethyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]hexanoate

Systemtic Name: ethyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]hexanoate Openeye Name: ethyl 2-[(4-methylbenzoyl)carbamothioylamino]hexanoate CAS Name: 2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylbenzoyl)carbamothioylamino]hexanoate Traditional Name: 2-(p-toluoylthiocarbamoylamino)hexanoic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)NC(=S)NC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC(C(=O)OCC)NC(=S)NC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C17H24N2O3S/c1-4-6-7-14(16(21)22-5-2)18-17(23)19-15(20)13-10-8-12(3)9-11-13/h8-11,14H,4-7H2,1-3H3,(H2,18,19,20,23)