dimethyl 3-methyl-5-(phenethylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(phenethylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(phenethylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(phenethylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(phenethylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(phenethylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O4S2/c1-11-13(16(21)23-2)15(26-14(11)17(22)24-3)20-18(25)19-10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H2,19,20,25)