methyl N-(4-methylphenyl)sulfonyl-N'-phenethyl-carbamimidothioate

Systemtic Name: methyl N-(4-methylphenyl)sulfonyl-N'-phenethyl-carbamimidothioate Openeye Name: 2-methyl-3-phenethyl-1-(p-tolylsulfonyl)isothiourea CAS Name: N-(4-methylphenyl)sulfonyl-N'-phenethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-methylphenyl)sulfonyl-N'-phenethylcarbamimidothioate Traditional Name: 2-methyl-3-phenethyl-1-tosyl-isothiourea Formula: C17H20N2O2S2 MolecularWeight: 348.4829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=CC=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=CC=C2)SC

InChI

InChI=1S/C17H20N2O2S2/c1-14-8-10-16(11-9-14)23(20,21)19-17(22-2)18-13-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,18,19)