(phenylmethyl) N-cyano-N'-propan-2-yl-carbamimidothioate

Systemtic Name: (phenylmethyl) N-cyano-N'-propan-2-yl-carbamimidothioate Openeye Name: 2-benzyl-1-cyano-3-isopropyl-isothiourea CAS Name: N-cyano-N'-propan-2-ylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-cyano-N'-propan-2-ylcarbamimidothioate Traditional Name: 2-benzyl-1-cyano-3-isopropyl-isothiourea Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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