methyl N-(4-cyanophenyl)-N'-(2,4,6-trimethylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(2,4,6-trimethylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-2-methyl-3-(2,4,6-trimethylphenyl)sulfonyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-(2,4,6-trimethylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-(2,4,6-trimethylphenyl)sulfonylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-mesitylsulfonyl-2-methyl-isothiourea Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N=C(NC2=CC=C(C=C2)C#N)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)/N=C(/NC2=CC=C(C=C2)C#N)\SC)C

InChI

InChI=1S/C18H19N3O2S2/c1-12-9-13(2)17(14(3)10-12)25(22,23)21-18(24-4)20-16-7-5-15(11-19)6-8-16/h5-10H,1-4H3,(H,20,21)