N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-4-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidine-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(4-thianyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-tetrahydrothiopyran-4-yl-isonipecotamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4CCSCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4CCSCC4)C

InChI

InChI=1S/C22H30N4OS/c1-16-15-17(2)26(24-16)21-5-3-19(4-6-21)23-22(27)18-7-11-25(12-8-18)20-9-13-28-14-10-20/h3-6,15,18,20H,7-14H2,1-2H3,(H,23,27)