ethyl 4-(hexylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(hexylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(hexylcarbamothioylamino)benzoate CAS Name: 4-[[(hexylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(hexylcarbamothioylamino)benzoate Traditional Name: 4-(hexylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCCCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C16H24N2O2S/c1-3-5-6-7-12-17-16(21)18-14-10-8-13(9-11-14)15(19)20-4-2/h8-11H,3-7,12H2,1-2H3,(H2,17,18,21)