N-(2-morpholin-4-ylphenyl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(2-morpholin-4-ylphenyl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-(2-morpholinophenyl)thiazole-4-carboxamide CAS Name: N-[2-(4-morpholinyl)phenyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2-morpholin-4-ylphenyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-(2-morpholinophenyl)thiazole-4-carboxamide Formula: C28H31N5O3S2 MolecularWeight: 549.70744

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC=CC=C4N5CCOCC5

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=CC=CC=C4N5CCOCC5

InChI

InChI=1S/C28H31N5O3S2/c1-2-18-37-27-21(6-5-11-29-27)28(35)33-12-9-20(10-13-33)26-31-23(19-38-26)25(34)30-22-7-3-4-8-24(22)32-14-16-36-17-15-32/h2-8,11,19-20H,1,9-10,12-18H2,(H,30,34)