1-[3-(1-carbamimidoylsulfanylethyl)-2,4,6-trimethyl-phenyl]ethyl carbamimidothioate

Systemtic Name: 1-[3-(1-carbamimidoylsulfanylethyl)-2,4,6-trimethyl-phenyl]ethyl carbamimidothioate Openeye Name: 2-[1-[3-(1-carbamimidoylsulfanylethyl)-2,4,6-trimethyl-phenyl]ethyl]isothiourea CAS Name: carbamimidothioic acid 1-[3-[1-(carbamimidoylthio)ethyl]-2,4,6-trimethylphenyl]ethyl ester IUPAC Name: 1-[3-(1-carbamimidoylsulfanylethyl)-2,4,6-trimethylphenyl]ethyl carbamimidothioate Traditional Name: 2-[1-[3-[1-(amidinothio)ethyl]-2,4,6-trimethyl-phenyl]ethyl]isothiourea Formula: C15H24N4S2 MolecularWeight: 324.50786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(C)SC(=N)N)C)C(C)SC(=N)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(C)SC(=N)N)C)C(C)SC(=N)N)C

InChI

InChI=1S/C15H24N4S2/c1-7-6-8(2)13(11(5)21-15(18)19)9(3)12(7)10(4)20-14(16)17/h6,10-11H,1-5H3,(H3,16,17)(H3,18,19)