[2-[2-(carbamimidoylsulfanylmethyl)-6-methyl-phenyl]-3-methyl-phenyl]methyl carbamimidothioate

Systemtic Name: [2-[2-(carbamimidoylsulfanylmethyl)-6-methyl-phenyl]-3-methyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-[2-(carbamimidoylsulfanylmethyl)-6-methyl-phenyl]-3-methyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-[2-[(carbamimidoylthio)methyl]-6-methylphenyl]-3-methylphenyl]methyl ester IUPAC Name: [2-[2-(carbamimidoylsulfanylmethyl)-6-methylphenyl]-3-methylphenyl]methyl carbamimidothioate Traditional Name: 2-[2-[2-[(amidinothio)methyl]-6-methyl-phenyl]-3-methyl-benzyl]isothiourea Formula: C18H22N4S2 MolecularWeight: 358.52408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CSC(=N)N)C2=C(C=CC=C2CSC(=N)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)CSC(=N)N)C2=C(C=CC=C2CSC(=N)N)C

InChI

InChI=1S/C18H22N4S2/c1-11-5-3-7-13(9-23-17(19)20)15(11)16-12(2)6-4-8-14(16)10-24-18(21)22/h3-8H,9-10H2,1-2H3,(H3,19,20)(H3,21,22)