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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-methylsulfonyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-methylsulfonyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-methylsulfonylanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-methylsulfonylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-mesyl-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H16N4O6S3 MolecularWeight: 420.48434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)(=O)C)NC(=S)NC(=O)OC

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)(=O)C)NC(=S)NC(=O)OC

InChI

InChI=1S/C13H16N4O6S3/c1-22-12(18)16-10(24)14-8-5-4-7(26(3,20)21)6-9(8)15-11(25)17-13(19)23-2/h4-6H,1-3H3,(H2,14,16,18,24)(H2,15,17,19,25)