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

Systemtic Name: (4-cyanophenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c1-10(8-17-2)16-13(15)18-9-12-5-3-11(7-14)4-6-12/h3-6,10H,8-9H2,1-2H3,(H2,15,16)/t10-/m1/s1