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

Systemtic Name: methyl N-(4-cyanophenyl)-N'-hexyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-hexyl-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-hexylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-hexylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-hexyl-2-methyl-isothiourea Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3S/c1-3-4-5-6-11-17-15(19-2)18-14-9-7-13(12-16)8-10-14/h7-10H,3-6,11H2,1-2H3,(H,17,18)