pentyl 2-[(3,4-dimethylphenyl)carbamothioylamino]ethanoate

Systemtic Name: pentyl 2-[(3,4-dimethylphenyl)carbamothioylamino]ethanoate Openeye Name: pentyl 2-[(3,4-dimethylphenyl)carbamothioylamino]acetate CAS Name: 2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(3,4-dimethylphenyl)carbamothioylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)thiocarbamoylamino]acetic acid amyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=S)NC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCCCCOC(=O)CNC(=S)NC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C16H24N2O2S/c1-4-5-6-9-20-15(19)11-17-16(21)18-14-8-7-12(2)13(3)10-14/h7-8,10H,4-6,9,11H2,1-3H3,(H2,17,18,21)