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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-(4-tert-butyl-2,6-dimethyl-benzyl)isothiourea Formula: C21H28N2S MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NCC2=CC=CC=C2)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=NCC2=CC=CC=C2)N)C)C(C)(C)C

InChI

InChI=1S/C21H28N2S/c1-15-11-18(21(3,4)5)12-16(2)19(15)14-24-20(22)23-13-17-9-7-6-8-10-17/h6-12H,13-14H2,1-5H3,(H2,22,23)