methyl N-(3-chloranyl-4-cyano-phenyl)-N'-cyclooctyl-carbamimidothioate

Systemtic Name: methyl N-(3-chloranyl-4-cyano-phenyl)-N'-cyclooctyl-carbamimidothioate Openeye Name: 1-(3-chloro-4-cyano-phenyl)-3-cyclooctyl-2-methyl-isothiourea CAS Name: N-(3-chloro-4-cyanophenyl)-N'-cyclooctylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(3-chloro-4-cyanophenyl)-N'-cyclooctylcarbamimidothioate Traditional Name: 1-(3-chloro-4-cyano-phenyl)-3-cyclooctyl-2-methyl-isothiourea Formula: C17H22ClN3S MolecularWeight: 335.89468

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCCCCCC1)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CSC(=NC1CCCCCCC1)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H22ClN3S/c1-22-17(20-14-7-5-3-2-4-6-8-14)21-15-10-9-13(12-19)16(18)11-15/h9-11,14H,2-8H2,1H3,(H,20,21)