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

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(cycloheptylmethyl)carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-(cycloheptylmethyl)-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-(cycloheptylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-(cycloheptylmethyl)carbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-(cycloheptylmethyl)-2-methyl-isothiourea Formula: C17H23N3S MolecularWeight: 301.44962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1CCCCCC1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC(=NCC1CCCCCC1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H23N3S/c1-21-17(19-13-15-6-4-2-3-5-7-15)20-16-10-8-14(12-18)9-11-16/h8-11,15H,2-7,13H2,1H3,(H,19,20)