ethyl N'-[(4-ethylsulfonylphenyl)carbamothioyl]carbamimidothioate

Systemtic Name: ethyl N'-[(4-ethylsulfonylphenyl)carbamothioyl]carbamimidothioate Openeye Name: (1Z)-1-[amino(ethylsulfanyl)methylene]-3-(4-ethylsulfonylphenyl)thiourea CAS Name: N'-[(4-ethylsulfonylanilino)-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[(4-ethylsulfonylphenyl)carbamothioyl]carbamimidothioate Traditional Name: (1Z)-1-[amino-(ethylthio)methylene]-3-(4-esylphenyl)thiourea Formula: C12H17N3O2S3 MolecularWeight: 331.47728

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC(=S)NC1=CC=C(C=C1)S(=O)(=O)CC)N

Isomeric SMILES

CCS/C(=N\C(=S)NC1=CC=C(C=C1)S(=O)(=O)CC)/N

InChI

InChI=1S/C12H17N3O2S3/c1-3-19-11(13)15-12(18)14-9-5-7-10(8-6-9)20(16,17)4-2/h5-8H,3-4H2,1-2H3,(H3,13,14,15,18)