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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CSC(=N)N)CSC(=N)N

Isomeric SMILES

CC1=C(C=CC=C1CSC(=N)N)CSC(=N)N

InChI

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