(1S,2R)-2-[3-isothiocyanatopropyl(methyl)amino]-1-phenyl-propan-1-ol

Systemtic Name: (1S,2R)-2-[3-isothiocyanatopropyl(methyl)amino]-1-phenyl-propan-1-ol Openeye Name: (1S,2R)-2-[3-isothiocyanatopropyl(methyl)amino]-1-phenyl-propan-1-ol CAS Name: (1S,2R)-2-[3-isothiocyanatopropyl(methyl)amino]-1-phenyl-1-propanol IUPAC Name: (1S,2R)-2-[3-isothiocyanatopropyl(methyl)amino]-1-phenylpropan-1-ol Traditional Name: (1S,2R)-2-[3-isothiocyanatopropyl(methyl)amino]-1-phenyl-propan-1-ol Formula: C14H20N2OS MolecularWeight: 264.3864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)CCCN=C=S

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)N(C)CCCN=C=S

InChI

InChI=1S/C14H20N2OS/c1-12(16(2)10-6-9-15-11-18)14(17)13-7-4-3-5-8-13/h3-5,7-8,12,14,17H,6,9-10H2,1-2H3/t12-,14-/m1/s1