[3-bromanyl-5-(carbamimidoylsulfanylmethyl)-2,4-dimethyl-phenyl]methyl carbamimidothioate

Systemtic Name: [3-bromanyl-5-(carbamimidoylsulfanylmethyl)-2,4-dimethyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[3-bromo-5-(carbamimidoylsulfanylmethyl)-2,4-dimethyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-bromo-5-[(carbamimidoylthio)methyl]-2,4-dimethylphenyl]methyl ester IUPAC Name: [3-bromo-5-(carbamimidoylsulfanylmethyl)-2,4-dimethylphenyl]methyl carbamimidothioate Traditional Name: 2-[5-[(amidinothio)methyl]-3-bromo-2,4-dimethyl-benzyl]isothiourea Formula: C12H17BrN4S2 MolecularWeight: 361.32418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN4S2/c1-6-8(4-18-11(14)15)3-9(5-19-12(16)17)7(2)10(6)13/h3H,4-5H2,1-2H3,(H3,14,15)(H3,16,17)