methyl N-(4-cyanophenyl)-N'-cyclooctyl-carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-cyclooctyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-cyclooctyl-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-cyclooctylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-cyclooctylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-cyclooctyl-2-methyl-isothiourea Formula: C17H23N3S MolecularWeight: 301.44962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3S/c1-21-17(19-15-7-5-3-2-4-6-8-15)20-16-11-9-14(13-18)10-12-16/h9-12,15H,2-8H2,1H3,(H,19,20)