N-(4-isothiocyanatophenyl)-N-[3-methyl-1-(2-oxidanyl-2-phenyl-ethyl)piperidin-4-yl]propanamide

Systemtic Name: N-(4-isothiocyanatophenyl)-N-[3-methyl-1-(2-oxidanyl-2-phenyl-ethyl)piperidin-4-yl]propanamide Openeye Name: N-[1-(2-hydroxy-2-phenyl-ethyl)-3-methyl-4-piperidyl]-N-(4-isothiocyanatophenyl)propanamide CAS Name: N-[1-(2-hydroxy-2-phenylethyl)-3-methyl-4-piperidinyl]-N-(4-isothiocyanatophenyl)propanamide IUPAC Name: N-[1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-4-yl]-N-(4-isothiocyanatophenyl)propanamide Traditional Name: N-[1-(2-hydroxy-2-phenyl-ethyl)-3-methyl-4-piperidyl]-N-(4-isothiocyanatophenyl)propionamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1C)CC(C2=CC=CC=C2)O)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCC(=O)N(C1CCN(CC1C)CC(C2=CC=CC=C2)O)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C24H29N3O2S/c1-3-24(29)27(21-11-9-20(10-12-21)25-17-30)22-13-14-26(15-18(22)2)16-23(28)19-7-5-4-6-8-19/h4-12,18,22-23,28H,3,13-16H2,1-2H3