methyl-[[2-[[methyl(sulfanylcarbonyl)carbamoyl]amino]phenyl]carbamoyl]carbamothioic S-acid

Systemtic Name: methyl-[[2-[[methyl(sulfanylcarbonyl)carbamoyl]amino]phenyl]carbamoyl]carbamothioic S-acid Openeye Name: methyl-[[2-[[methyl(sulfanylcarbonyl)carbamoyl]amino]phenyl]carbamoyl]carbamothioic S-acid CAS Name: [[2-[[[[mercapto(oxo)methyl]-methylamino]-oxomethyl]amino]anilino]-oxomethyl]-methylcarbamothioic S-acid IUPAC Name: methyl-[[2-[[methyl(sulfanylcarbonyl)carbamoyl]amino]phenyl]carbamoyl]carbamothioic S-acid Traditional Name: methyl-[[2-[[methyl(thiocarboxy)carbamoyl]amino]phenyl]carbamoyl]thiocarbamic S-acid Formula: C12H14N4O4S2 MolecularWeight: 342.39396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1=CC=CC=C1NC(=O)N(C)C(=O)S)C(=O)S

Isomeric SMILES

CN(C(=O)NC1=CC=CC=C1NC(=O)N(C)C(=O)S)C(=O)S

InChI

InChI=1S/C12H14N4O4S2/c1-15(11(19)21)9(17)13-7-5-3-4-6-8(7)14-10(18)16(2)12(20)22/h3-6H,1-2H3,(H,13,17)(H,14,18)(H,19,21)(H,20,22)