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

Systemtic Name: methyl N-[[2-acetamido-4-(methylsulfanylmethylsulfanyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-acetamido-4-(methylsulfanylmethylsulfanyl)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-acetamido-4-[(methylthio)methylthio]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-acetamido-4-(methylsulfanylmethylsulfanyl)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-acetamido-4-[(methylthio)methylthio]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H17N3O3S3 MolecularWeight: 359.48738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S3/c1-8(17)14-11-6-9(22-7-21-3)4-5-10(11)15-12(20)16-13(18)19-2/h4-6H,7H2,1-3H3,(H,14,17)(H2,15,16,18,20)