methyl 5-methyl-2-(phenethylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(phenethylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(phenethylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(phenethylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(phenethylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(phenethylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCCC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCCC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2S2/c1-15-18(17-11-7-4-8-12-17)19(21(25)26-2)20(28-15)24-22(27)23-14-13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3,(H2,23,24,27)