ethyl N,N'-diheptyl-N-(4-methylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: ethyl N,N'-diheptyl-N-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 2-ethyl-1,3-diheptyl-1-(p-tolylsulfonyl)isothiourea CAS Name: N,N'-diheptyl-N-(4-methylphenyl)sulfonylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl N,N'-diheptyl-N-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 2-ethyl-1,3-diheptyl-1-tosyl-isothiourea Formula: C24H42N2O2S2 MolecularWeight: 454.73248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN=C(N(CCCCCCC)S(=O)(=O)C1=CC=C(C=C1)C)SCC

Isomeric SMILES

CCCCCCCN=C(N(CCCCCCC)S(=O)(=O)C1=CC=C(C=C1)C)SCC

InChI

InChI=1S/C24H42N2O2S2/c1-5-8-10-12-14-20-25-24(29-7-3)26(21-15-13-11-9-6-2)30(27,28)23-18-16-22(4)17-19-23/h16-19H,5-15,20-21H2,1-4H3