methyl N-[(2-acetamido-5-methylsulfinyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-acetamido-5-methylsulfinyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-acetamido-5-methylsulfinyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-acetamido-5-methylsulfinylanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-acetamido-5-methylsulfinylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-acetamido-5-methylsulfinyl-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C12H15N3O4S2 MolecularWeight: 329.3952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S2/c1-7(16)13-9-5-4-8(21(3)18)6-10(9)14-11(20)15-12(17)19-2/h4-6H,1-3H3,(H,13,16)(H2,14,15,17,20)