(3S)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(4-propoxyphenyl)thiazol-2-yl]-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-(4-propoxyphenyl)-2-thiazolyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(4-propoxyphenyl)thiazol-2-yl]-1-(2-pyrimidyl)nipecotamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C22H25N5O2S/c1-2-13-29-18-8-6-16(7-9-18)19-15-30-22(25-19)26-20(28)17-5-3-12-27(14-17)21-23-10-4-11-24-21/h4,6-11,15,17H,2-3,5,12-14H2,1H3,(H,25,26,28)/t17-/m0/s1