methyl 2-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-4-nitro-phenyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-nitrophenyl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-4-nitro-phenyl)thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H21ClN4O5S2 MolecularWeight: 484.97684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC)C

InChI

InChI=1S/C19H21ClN4O5S2/c1-5-23(6-2)17(25)15-10(3)14(18(26)29-4)16(31-15)22-19(30)21-13-8-7-11(24(27)28)9-12(13)20/h7-9H,5-6H2,1-4H3,(H2,21,22,30)