methyl 4-cyano-3-methyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H19N5O6S2 MolecularWeight: 489.52476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N5O6S2/c1-11-13(10-21)18(33-16(11)19(27)30-2)23-20(32)22-17(26)12-3-4-14(15(9-12)25(28)29)24-5-7-31-8-6-24/h3-4,9H,5-8H2,1-2H3,(H2,22,23,26,32)