methyl 2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-fluoro-4-methylphenyl)carbamothioylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C18H15FN2O2S3 MolecularWeight: 406.517303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC)F

InChI

InChI=1S/C18H15FN2O2S3/c1-10-5-6-11(8-13(10)19)20-18(24)21-16-15(17(22)23-2)12(9-26-16)14-4-3-7-25-14/h3-9H,1-2H3,(H2,20,21,24)