(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl carbamimidothioate

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl carbamimidothioate Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (3,5-ditert-butyl-4-hydroxyphenyl)methyl ester IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl carbamimidothioate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)isothiourea Formula: C16H26N2OS MolecularWeight: 294.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC(=N)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC(=N)N

InChI

InChI=1S/C16H26N2OS/c1-15(2,3)11-7-10(9-20-14(17)18)8-12(13(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3,(H3,17,18)