methyl 3-[(4-methylphenyl)methylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-methylphenyl)methylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-(p-tolylmethylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)methylcarbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(4-methylbenzyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C15H16N2O2S2 MolecularWeight: 320.42974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C15H16N2O2S2/c1-10-3-5-11(6-4-10)9-16-15(20)17-12-7-8-21-13(12)14(18)19-2/h3-8H,9H2,1-2H3,(H2,16,17,20)