[4-[bis(azanyl)methylsulfanylmethyl]-2,5-dimethyl-phenyl]methyl carbamimidothioate

Systemtic Name: [4-[bis(azanyl)methylsulfanylmethyl]-2,5-dimethyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[4-(diaminomethylsulfanylmethyl)-2,5-dimethyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [4-[(diaminomethylthio)methyl]-2,5-dimethylphenyl]methyl ester IUPAC Name: [4-(diaminomethylsulfanylmethyl)-2,5-dimethylphenyl]methyl carbamimidothioate Traditional Name: 2-[4-[(diaminomethylthio)methyl]-2,5-dimethyl-benzyl]isothiourea Formula: C12H20N4S2 MolecularWeight: 284.444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4S2/c1-7-3-10(6-18-12(15)16)8(2)4-9(7)5-17-11(13)14/h3-4,11H,5-6,13-14H2,1-2H3,(H3,15,16)