[3-(carbamimidoylsulfanylmethyl)-5-methyl-phenyl]methyl carbamimidothioate

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-5-methyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)-5-methyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]-5-methylphenyl]methyl ester IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-5-methylphenyl]methyl carbamimidothioate Traditional Name: 2-[3-[(amidinothio)methyl]-5-methyl-benzyl]isothiourea Formula: C11H16N4S2 MolecularWeight: 268.40154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC(=N)N)CSC(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)CSC(=N)N)CSC(=N)N

InChI

InChI=1S/C11H16N4S2/c1-7-2-8(5-16-10(12)13)4-9(3-7)6-17-11(14)15/h2-4H,5-6H2,1H3,(H3,12,13)(H3,14,15)