N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide

Systemtic Name: N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide Openeye Name: N-[4-(2-methylimidazol-1-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidine-3-carboxamide CAS Name: N-[4-(2-methyl-1-imidazolyl)phenyl]-1-(4-thianyl)-3-piperidinecarboxamide IUPAC Name: N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide Traditional Name: N-[4-(2-methylimidazol-1-yl)phenyl]-1-tetrahydrothiopyran-4-yl-nipecotamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCCN(C3)C4CCSCC4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCCN(C3)C4CCSCC4

InChI

InChI=1S/C21H28N4OS/c1-16-22-10-12-25(16)20-6-4-18(5-7-20)23-21(26)17-3-2-11-24(15-17)19-8-13-27-14-9-19/h4-7,10,12,17,19H,2-3,8-9,11,13-15H2,1H3,(H,23,26)