N-[1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidinyl]-N-phenylpropanamide (Q27164071)

Fentanyl isothiocyanate (English)

9 October 2016

chemical formula

C₂₃H₂₇N₃OS

1 reference

Fentanyl isothiocyanate (English)

9 October 2016

canonical SMILES

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

1 reference

Fentanyl isothiocyanate (English)

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

9 October 2016

Identifiers

InChI

1 reference

Fentanyl isothiocyanate (English)

VDKBIFPJULZUPU-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

Fentanyl isothiocyanate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

N-{1-[2-(4-Isothiocyanatophenyl)ethyl]-4-piperidinyl}-N-phenylpropanamide (English)

9 October 2016

2 references

Fentanyl isothiocyanate (English)

matched by identifier from

9 October 2016

InChIKey

VDKBIFPJULZUPU-UHFFFAOYSA-N

ChEBI ID

92323

mapping relation type

2 references

N-[1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidinyl]-N-phenylpropanamide (English)

matched by identifier from

9 October 2016

International Chemical Identifier

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

1 reference