(4-cyanophenyl)methyl N'-propan-2-ylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-propan-2-ylcarbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-isopropyl-isothiourea CAS Name: N'-propan-2-ylcarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-propan-2-ylcarbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-isopropyl-isothiourea Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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