(3S)-1-(3-pyrazin-2-ylpropanoyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-pyrazin-2-ylpropanoyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(3-pyrazin-2-ylpropanoyl)-N-(4-thiazol-4-ylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-oxo-3-(2-pyrazinyl)propyl]-N-[4-(4-thiazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-pyrazin-2-ylpropanoyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(3-pyrazin-2-ylpropanoyl)-N-(4-thiazol-4-ylphenyl)nipecotamide Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=NC=CN=C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC2=NC=CN=C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

InChI

InChI=1S/C22H23N5O2S/c28-21(8-7-19-12-23-9-10-24-19)27-11-1-2-17(13-27)22(29)26-18-5-3-16(4-6-18)20-14-30-15-25-20/h3-6,9-10,12,14-15,17H,1-2,7-8,11,13H2,(H,26,29)/t17-/m0/s1