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

Systemtic Name: methyl N-(4-cyanophenyl)-N'-cyclononyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-cyclononyl-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-cyclononylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-cyclononylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-cyclononyl-2-methyl-isothiourea Formula: C18H25N3S MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCCCCCCC1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC(=NC1CCCCCCCC1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H25N3S/c1-22-18(21-17-12-10-15(14-19)11-13-17)20-16-8-6-4-2-3-5-7-9-16/h10-13,16H,2-9H2,1H3,(H,20,21)