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

Systemtic Name: methyl N-(4-cyanophenyl)-N'-dodecyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-dodecyl-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-dodecylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-dodecylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-lauryl-2-methyl-isothiourea Formula: C21H33N3S MolecularWeight: 359.57182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3S/c1-3-4-5-6-7-8-9-10-11-12-17-23-21(25-2)24-20-15-13-19(18-22)14-16-20/h13-16H,3-12,17H2,1-2H3,(H,23,24)