(4-methylphenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate

Systemtic Name: (4-methylphenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 1-cyano-3-(4-ethoxyphenyl)-2-(p-tolylmethyl)isothiourea CAS Name: N-cyano-N'-(4-ethoxyphenyl)carbamimidothioic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 1-cyano-2-(4-methylbenzyl)-3-p-phenetyl-isothiourea Formula: C18H19N3OS MolecularWeight: 325.42796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(NC#N)SCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(NC#N)SCC2=CC=C(C=C2)C

InChI

InChI=1S/C18H19N3OS/c1-3-22-17-10-8-16(9-11-17)21-18(20-13-19)23-12-15-6-4-14(2)5-7-15/h4-11H,3,12H2,1-2H3,(H,20,21)