methyl 2-(furan-2-ylcarbonylcarbamothioylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(furan-2-ylcarbonylcarbamothioylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(furan-2-carbonylcarbamothioylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(furan-2-carbonylcarbamothioylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(2-furoylthiocarbamoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C19H16N2O4S2 MolecularWeight: 400.47134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H16N2O4S2/c1-11-5-7-12(8-6-11)13-10-27-17(15(13)18(23)24-2)21-19(26)20-16(22)14-4-3-9-25-14/h3-10H,1-2H3,(H2,20,21,22,26)