methyl N'-[(Z)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamimidothioate

Systemtic Name: methyl N'-[(Z)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamimidothioate Openeye Name: 2-methyl-3-[(Z)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]isothiourea CAS Name: N'-[(Z)-(4-methylphenyl)sulfonylimino-phenylmethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(Z)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate Traditional Name: 2-methyl-3-[(Z)-C-phenyl-N-tosyl-carbonimidoyl]isothiourea Formula: C16H17N3O2S2 MolecularWeight: 347.45508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S2/c1-12-8-10-14(11-9-12)23(20,21)19-15(18-16(17)22-2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,18,19)