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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-methylsulfinyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-methylsulfinyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-methylsulfinylanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-methylsulfinylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-methylsulfinyl-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H16N4O5S3 MolecularWeight: 404.48494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O5S3/c1-21-12(18)16-10(23)14-8-5-4-7(25(3)20)6-9(8)15-11(24)17-13(19)22-2/h4-6H,1-3H3,(H2,14,16,18,23)(H2,15,17,19,24)