(2,5-dimethylphenyl)methyl N'-(phenylmethyl)carbamimidothioate

Systemtic Name: (2,5-dimethylphenyl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(2,5-dimethylphenyl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-(2,5-dimethylbenzyl)isothiourea Formula: C17H20N2S MolecularWeight: 284.4191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC(=NCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC(=NCC2=CC=CC=C2)N

InChI

InChI=1S/C17H20N2S/c1-13-8-9-14(2)16(10-13)12-20-17(18)19-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,18,19)