methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-nitro-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-nitro-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-nitro-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-nitrophenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C12H13N5O6S2 MolecularWeight: 387.39152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)OC

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)OC

InChI

InChI=1S/C12H13N5O6S2/c1-22-11(18)15-9(24)13-7-4-3-6(17(20)21)5-8(7)14-10(25)16-12(19)23-2/h3-5H,1-2H3,(H2,13,15,18,24)(H2,14,16,19,25)