(4-tert-butylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-tert-butylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,5-dimethylphenyl)isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-(2,5-dimethylphenyl)isothiourea Formula: C20H26N2S MolecularWeight: 326.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26N2S/c1-14-6-7-15(2)18(12-14)22-19(21)23-13-16-8-10-17(11-9-16)20(3,4)5/h6-12H,13H2,1-5H3,(H2,21,22)