1-[4-[[1-[(4-isothiocyanatophenyl)methyl]piperidin-4-yl]amino]phenyl]propan-1-one

Systemtic Name: 1-[4-[[1-[(4-isothiocyanatophenyl)methyl]piperidin-4-yl]amino]phenyl]propan-1-one Openeye Name: 1-[4-[[1-[(4-isothiocyanatophenyl)methyl]-4-piperidyl]amino]phenyl]propan-1-one CAS Name: 1-[4-[[1-[(4-isothiocyanatophenyl)methyl]-4-piperidinyl]amino]phenyl]-1-propanone IUPAC Name: 1-[4-[[1-[(4-isothiocyanatophenyl)methyl]piperidin-4-yl]amino]phenyl]propan-1-one Traditional Name: 1-[4-[[1-(4-isothiocyanatobenzyl)-4-piperidyl]amino]phenyl]propan-1-one Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)NC2CCN(CC2)CC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)NC2CCN(CC2)CC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C22H25N3OS/c1-2-22(26)18-5-9-20(10-6-18)24-21-11-13-25(14-12-21)15-17-3-7-19(8-4-17)23-16-27/h3-10,21,24H,2,11-15H2,1H3