N-[1-[2-(4-isothiocyanatophenyl)ethyl]piperidin-4-yl]-N-phenyl-propanamide

Systemtic Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]piperidin-4-yl]-N-phenyl-propanamide Openeye Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidyl]-N-phenyl-propanamide CAS Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidinyl]-N-phenylpropanamide IUPAC Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide Traditional Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidyl]-N-phenyl-propionamide Formula: C23H27N3OS MolecularWeight: 393.54498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)N=C=S)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)N=C=S)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3