methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3,4-dichlorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3,4-dichlorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3,4-dichlorobenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H18Cl2N2O2S2 MolecularWeight: 465.41582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O2S2/c1-27-20(26)16-11-15(9-13-5-3-2-4-6-13)29-19(16)25-21(28)24-12-14-7-8-17(22)18(23)10-14/h2-8,10-11H,9,12H2,1H3,(H2,24,25,28)