ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-[(2-methylphenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-[(2-methylphenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-[(2-methylbenzoyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-[(2-methylbenzoyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-(o-toluoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=S)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=S)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H26N2O5S2/c1-6-32-24(29)21-20(16-11-12-18(30-4)19(13-16)31-5)15(3)34-23(21)27-25(33)26-22(28)17-10-8-7-9-14(17)2/h7-13H,6H2,1-5H3,(H2,26,27,28,33)