methyl 5-phenyl-2-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-benzoylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-benzoylphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H20N2O3S2 MolecularWeight: 472.5786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H20N2O3S2/c1-31-25(30)20-16-22(17-10-4-2-5-11-17)33-24(20)28-26(32)27-21-15-9-8-14-19(21)23(29)18-12-6-3-7-13-18/h2-16H,1H3,(H2,27,28,32)