methyl N-cyano-N'-(4-propan-2-ylphenyl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(4-propan-2-ylphenyl)carbamimidothioate Openeye Name: 1-cyano-3-(4-isopropylphenyl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(4-propan-2-ylphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(4-propan-2-ylphenyl)carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-p-cumenyl-isothiourea Formula: C12H15N3S MolecularWeight: 233.3326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3S/c1-9(2)10-4-6-11(7-5-10)15-12(16-3)14-8-13/h4-7,9H,1-3H3,(H,14,15)