(4-tert-butylphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate

Systemtic Name: (4-tert-butylphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-(4-chlorophenyl)isothiourea Formula: C18H21ClN2S MolecularWeight: 332.89074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C18H21ClN2S/c1-18(2,3)14-6-4-13(5-7-14)12-22-17(20)21-16-10-8-15(19)9-11-16/h4-11H,12H2,1-3H3,(H2,20,21)