methyl N-[(2-acetamido-4-aminocarbonylsulfanyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-acetamido-4-aminocarbonylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-acetamido-4-carbamoylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-acetamido-4-(carbamoylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-acetamido-4-carbamoylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-acetamido-4-(carbamoylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C12H14N4O4S2 MolecularWeight: 342.39396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)SC(=O)N)NC(=S)NC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)SC(=O)N)NC(=S)NC(=O)OC

InChI

InChI=1S/C12H14N4O4S2/c1-6(17)14-9-5-7(22-10(13)18)3-4-8(9)15-11(21)16-12(19)20-2/h3-5H,1-2H3,(H2,13,18)(H,14,17)(H2,15,16,19,21)