diethyl 3-methyl-5-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(1-methyl-3-phenyl-propyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-phenylbutan-2-ylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1-methyl-3-phenyl-propyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O4S2/c1-5-27-20(25)17-15(4)18(21(26)28-6-2)30-19(17)24-22(29)23-14(3)12-13-16-10-8-7-9-11-16/h7-11,14H,5-6,12-13H2,1-4H3,(H2,23,24,29)