methyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-(o-anisylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O3S2/c1-25-17-11-7-6-10-15(17)13-22-21(27)23-19-16(20(24)26-2)12-18(28-19)14-8-4-3-5-9-14/h3-12H,13H2,1-2H3,(H2,22,23,27)