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

Systemtic Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]thiazole-4-carboxamide Formula: C29H33N5O4S2 MolecularWeight: 579.73342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OCCCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OCCCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C29H33N5O4S2/c1-3-17-39-28-24(9-5-12-31-28)29(37)34-14-10-21(11-15-34)27-33-25(19-40-27)26(36)30-13-6-16-38-23-8-4-7-22(18-23)32-20(2)35/h3-5,7-9,12,18-19,21H,1,6,10-11,13-17H2,2H3,(H,30,36)(H,32,35)