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

Systemtic Name: methyl N-[(2-acetamido-5-ethylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-acetamido-5-ethylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-acetamido-5-(ethylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-acetamido-5-ethylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-acetamido-5-(ethylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)NC(=O)C)NC(=S)NC(=O)OC

Isomeric SMILES

CCSC1=CC(=C(C=C1)NC(=O)C)NC(=S)NC(=O)OC

InChI

InChI=1S/C13H17N3O3S2/c1-4-21-9-5-6-10(14-8(2)17)11(7-9)15-12(20)16-13(18)19-3/h5-7H,4H2,1-3H3,(H,14,17)(H2,15,16,18,20)