5-methyl-3-phenyl-N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-methyl-3-phenyl-N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[[2-(3-pyridyl)-1-piperidyl]carbamothioyl]isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[[2-(3-pyridyl)piperidino]thiocarbamoyl]isoxazole-4-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NN3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NN3CCCCC3C4=CN=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-15-19(20(26-29-15)16-8-3-2-4-9-16)21(28)24-22(30)25-27-13-6-5-11-18(27)17-10-7-12-23-14-17/h2-4,7-10,12,14,18H,5-6,11,13H2,1H3,(H2,24,25,28,30)