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

Systemtic Name: methyl 3-[(4-chlorophenyl)methylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-chlorophenyl)methylcarbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)methylcarbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(4-chlorobenzyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C14H13ClN2O2S2 MolecularWeight: 340.84822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O2S2/c1-19-13(18)12-11(6-7-21-12)17-14(20)16-8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3,(H2,16,17,20)