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

Systemtic Name: N-(3-morpholin-4-ylpropyl)-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-(3-morpholinopropyl)thiazole-4-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-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-(3-morpholinopropyl)thiazole-4-carboxamide Formula: C25H33N5O3S2 MolecularWeight: 515.69122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCCCN4CCOCC4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C25H33N5O3S2/c1-2-17-34-24-20(5-3-8-27-24)25(32)30-11-6-19(7-12-30)23-28-21(18-35-23)22(31)26-9-4-10-29-13-15-33-16-14-29/h2-3,5,8,18-19H,1,4,6-7,9-17H2,(H,26,31)