(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(4-chlorophenyl)carbamimidothioate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-(4-chlorophenyl)isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-(4-chlorophenyl)isothiourea Formula: C20H25ClN2S MolecularWeight: 360.9439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NC2=CC=C(C=C2)Cl)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=NC2=CC=C(C=C2)Cl)N)C)C(C)(C)C

InChI

InChI=1S/C20H25ClN2S/c1-13-10-15(20(3,4)5)11-14(2)18(13)12-24-19(22)23-17-8-6-16(21)7-9-17/h6-11H,12H2,1-5H3,(H2,22,23)