(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C18H30N2S MolecularWeight: 306.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SCC1=C(C=C(C=C1C)C(C)(C)C)C

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=C(C=C(C=C1C)C(C)(C)C)C

InChI

InChI=1S/C18H30N2S/c1-8-14(4)20-17(19)21-11-16-12(2)9-15(10-13(16)3)18(5,6)7/h9-10,14H,8,11H2,1-7H3,(H2,19,20)/t14-/m0/s1