(4-tert-butylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate

Systemtic Name: (4-tert-butylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea Formula: C16H26N2OS MolecularWeight: 294.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N=C(N)SCC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

C[C@H](COC)N=C(N)SCC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C16H26N2OS/c1-12(10-19-5)18-15(17)20-11-13-6-8-14(9-7-13)16(2,3)4/h6-9,12H,10-11H2,1-5H3,(H2,17,18)/t12-/m1/s1