[3-(carbamimidoylsulfanylmethyl)-2-methoxy-5-methyl-phenyl]methyl carbamimidothioate

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-2-methoxy-5-methyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)-2-methoxy-5-methyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]-2-methoxy-5-methylphenyl]methyl ester IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-2-methoxy-5-methylphenyl]methyl carbamimidothioate Traditional Name: 2-[3-[(amidinothio)methyl]-2-methoxy-5-methyl-benzyl]isothiourea Formula: C12H18N4OS2 MolecularWeight: 298.42752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4OS2/c1-7-3-8(5-18-11(13)14)10(17-2)9(4-7)6-19-12(15)16/h3-4H,5-6H2,1-2H3,(H3,13,14)(H3,15,16)