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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[(2-methoxy-5-nitrophenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(2-methoxy-5-nitro-phenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C(=O)N(C)C

InChI

InChI=1S/C18H20N4O6S2/c1-9-13(17(24)28-5)15(30-14(9)16(23)21(2)3)20-18(29)19-11-8-10(22(25)26)6-7-12(11)27-4/h6-8H,1-5H3,(H2,19,20,29)