1-(4-isothiocyanatophenyl)-2-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 1-(4-isothiocyanatophenyl)-2-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 2-(4-benzyl-1-piperidyl)-1-(4-isothiocyanatophenyl)propan-1-one CAS Name: 1-(4-isothiocyanatophenyl)-2-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 2-(4-benzylpiperidin-1-yl)-1-(4-isothiocyanatophenyl)propan-1-one Traditional Name: 2-(4-benzylpiperidino)-1-(4-isothiocyanatophenyl)propan-1-one Formula: C22H24N2OS MolecularWeight: 364.50376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)N=C=S)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)N=C=S)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2OS/c1-17(22(25)20-7-9-21(10-8-20)23-16-26)24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,17,19H,11-15H2,1H3