[4-bromanyl-3,5-bis[(N'-methylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N'-methylcarbamimidothioate

Systemtic Name: [4-bromanyl-3,5-bis[(N'-methylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N'-methylcarbamimidothioate Openeye Name: 2-[[2-bromo-3,5-bis[(N'-methylcarbamimidoyl)sulfanylmethyl]phenyl]methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid [3,5-bis[[[amino(methylimino)methyl]thio]methyl]-4-bromophenyl]methyl ester IUPAC Name: [4-bromo-3,5-bis[(N'-methylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N'-methylcarbamimidothioate Traditional Name: 2-[2-bromo-3,5-bis[[(N'-methylamidino)thio]methyl]benzyl]-3-methyl-isothiourea Formula: C15H23BrN6S3 MolecularWeight: 463.48232

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SCC1=CC(=C(C(=C1)CSC(=NC)N)Br)CSC(=NC)N

Isomeric SMILES

CN=C(N)SCC1=CC(=C(C(=C1)CSC(=NC)N)Br)CSC(=NC)N

InChI

InChI=1S/C15H23BrN6S3/c1-20-13(17)23-6-9-4-10(7-24-14(18)21-2)12(16)11(5-9)8-25-15(19)22-3/h4-5H,6-8H2,1-3H3,(H2,17,20)(H2,18,21)(H2,19,22)