methyl 2-[(4-fluorophenyl)carbonylcarbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)carbonylcarbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-fluorobenzoyl)thiocarbamoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C21H17FN2O3S2 MolecularWeight: 428.499683

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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O3S2/c1-12-3-5-13(6-4-12)16-11-29-19(17(16)20(26)27-2)24-21(28)23-18(25)14-7-9-15(22)10-8-14/h3-11H,1-2H3,(H2,23,24,25,28)