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

Systemtic Name: methyl N-(4-cyanophenyl)-N'-nonyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-2-methyl-3-nonyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-nonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-nonylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-2-methyl-3-nonyl-isothiourea Formula: C18H27N3S MolecularWeight: 317.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN=C(NC1=CC=C(C=C1)C#N)SC

Isomeric SMILES

CCCCCCCCCN=C(NC1=CC=C(C=C1)C#N)SC

InChI

InChI=1S/C18H27N3S/c1-3-4-5-6-7-8-9-14-20-18(22-2)21-17-12-10-16(15-19)11-13-17/h10-13H,3-9,14H2,1-2H3,(H,20,21)