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

Systemtic Name: (3S)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-allyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-(4-chlorophenyl)-2-thiazolyl]-N-prop-2-enyl-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-allyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-1-(2-pyrimidyl)nipecotamide Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

C=CCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)[C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C22H22ClN5OS/c1-2-12-28(22-26-19(15-30-22)16-6-8-18(23)9-7-16)20(29)17-5-3-13-27(14-17)21-24-10-4-11-25-21/h2,4,6-11,15,17H,1,3,5,12-14H2/t17-/m0/s1