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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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