3-[4-(4-isothiocyanatophenyl)piperazin-1-yl]propan-1-ol

Systemtic Name: 3-[4-(4-isothiocyanatophenyl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(4-isothiocyanatophenyl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-(4-isothiocyanatophenyl)-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(4-isothiocyanatophenyl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-(4-isothiocyanatophenyl)piperazino]propan-1-ol Formula: C14H19N3OS MolecularWeight: 277.38516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCO)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1CN(CCN1CCCO)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C14H19N3OS/c18-11-1-6-16-7-9-17(10-8-16)14-4-2-13(3-5-14)15-12-19/h2-5,18H,1,6-11H2