methyl N-(4-cyanophenyl)-N'-(phenylmethyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(phenylmethyl)sulfonyl-carbamimidothioate Openeye Name: 3-benzylsulfonyl-1-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-(phenylmethyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzylsulfonyl-N-(4-cyanophenyl)carbamimidothioate Traditional Name: 3-benzylsulfonyl-1-(4-cyanophenyl)-2-methyl-isothiourea Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)CC1=CC=CC=C1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S2/c1-22-16(18-15-9-7-13(11-17)8-10-15)19-23(20,21)12-14-5-3-2-4-6-14/h2-10H,12H2,1H3,(H,18,19)