methyl N-[3,5-bis(chloranyl)phenyl]-N'-cyclooctyl-carbamimidothioate

Systemtic Name: methyl N-[3,5-bis(chloranyl)phenyl]-N'-cyclooctyl-carbamimidothioate Openeye Name: 3-cyclooctyl-1-(3,5-dichlorophenyl)-2-methyl-isothiourea CAS Name: N'-cyclooctyl-N-(3,5-dichlorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-cyclooctyl-N-(3,5-dichlorophenyl)carbamimidothioate Traditional Name: 3-cyclooctyl-1-(3,5-dichlorophenyl)-2-methyl-isothiourea Formula: C16H22Cl2N2S MolecularWeight: 345.33028

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCCCCCC1)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CSC(=NC1CCCCCCC1)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2S/c1-21-16(19-14-7-5-3-2-4-6-8-14)20-15-10-12(17)9-13(18)11-15/h9-11,14H,2-8H2,1H3,(H,19,20)