N-(5-chloranyl-1,3-benzoxazol-2-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(5-chloranyl-1,3-benzoxazol-2-yl)-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-(5-chloro-1,3-benzoxazol-2-yl)thiazole-4-carboxamide CAS Name: N-(5-chloro-1,3-benzoxazol-2-yl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(5-chloro-1,3-benzoxazol-2-yl)-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-(5-chloro-1,3-benzoxazol-2-yl)thiazole-4-carboxamide Formula: C25H22ClN5O3S2 MolecularWeight: 540.05688

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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=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C25H22ClN5O3S2/c1-2-12-35-23-17(4-3-9-27-23)24(33)31-10-7-15(8-11-31)22-28-19(14-36-22)21(32)30-25-29-18-13-16(26)5-6-20(18)34-25/h2-6,9,13-15H,1,7-8,10-12H2,(H,29,30,32)