methyl N-(4-ethanoylphenyl)-N'-(phenylsulfonyl)carbamimidothioate

Systemtic Name: methyl N-(4-ethanoylphenyl)-N'-(phenylsulfonyl)carbamimidothioate Openeye Name: 1-(4-acetylphenyl)-3-(benzenesulfonyl)-2-methyl-isothiourea CAS Name: N-(4-acetylphenyl)-N'-(benzenesulfonyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-acetylphenyl)-N'-(benzenesulfonyl)carbamimidothioate Traditional Name: 1-(4-acetylphenyl)-3-besyl-2-methyl-isothiourea Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/SC

InChI

InChI=1S/C16H16N2O3S2/c1-12(19)13-8-10-14(11-9-13)17-16(22-2)18-23(20,21)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,17,18)