(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea Formula: C18H30N2OS MolecularWeight: 322.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NC(C)COC)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=N[C@H](C)COC)N)C)C(C)(C)C

InChI

InChI=1S/C18H30N2OS/c1-12-8-15(18(4,5)6)9-13(2)16(12)11-22-17(19)20-14(3)10-21-7/h8-9,14H,10-11H2,1-7H3,(H2,19,20)/t14-/m1/s1