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

Systemtic Name: (4-nitrophenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-(4-nitrobenzyl)isothiourea Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N=C(N)SCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-9(7-18-2)14-12(13)19-8-10-3-5-11(6-4-10)15(16)17/h3-6,9H,7-8H2,1-2H3,(H2,13,14)/t9-/m1/s1