methyl N-(4-cyanophenyl)-N'-phenethyl-carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-phenethyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-2-methyl-3-phenethyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-phenethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-phenethylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-2-methyl-3-phenethyl-isothiourea Formula: C17H17N3S MolecularWeight: 295.40198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC1=CC=CC=C1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC(=NCCC1=CC=CC=C1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H17N3S/c1-21-17(19-12-11-14-5-3-2-4-6-14)20-16-9-7-15(13-18)8-10-16/h2-10H,11-12H2,1H3,(H,19,20)