(4-cyanophenyl)methyl N'-butylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(4-cyanophenyl)methyl]isothiourea CAS Name: N'-butylcarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-butylcarbamimidothioate Traditional Name: 3-butyl-2-(4-cyanobenzyl)isothiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCC1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCN=C(N)SCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H17N3S/c1-2-3-8-16-13(15)17-10-12-6-4-11(9-14)5-7-12/h4-7H,2-3,8,10H2,1H3,(H2,15,16)