methyl 2-[(3-methoxycarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methoxycarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3-methoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(3-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3-methoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-carbomethoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20N2O4S2/c1-27-20(25)15-9-6-10-16(12-15)23-22(29)24-19-18(21(26)28-2)13-17(30-19)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H2,23,24,29)