methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-methyl-3-nitro-benzoyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[[(4-methyl-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-methyl-3-nitro-benzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H21N5O6S2 MolecularWeight: 479.52994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O6S2/c1-9-6-7-11(8-12(9)24(28)29)15(25)21-22-19(31)20-16-13(18(27)30-5)10(2)14(32-16)17(26)23(3)4/h6-8H,1-5H3,(H,21,25)(H2,20,22,31)