(4-cyanophenyl)methyl N'-propylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-propylcarbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-propyl-isothiourea Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3S/c1-2-7-15-12(14)16-9-11-5-3-10(8-13)4-6-11/h3-6H,2,7,9H2,1H3,(H2,14,15)