N-methyl-N-[2-(4-nitrophenyl)ethyl]-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-methyl-N-[2-(4-nitrophenyl)ethyl]-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-methyl-N-[2-(4-nitrophenyl)ethyl]thiazole-4-carboxamide CAS Name: N-methyl-N-[2-(4-nitrophenyl)ethyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-methyl-N-[2-(4-nitrophenyl)ethyl]-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-methyl-N-[2-(4-nitrophenyl)ethyl]thiazole-4-carboxamide Formula: C27H29N5O4S2 MolecularWeight: 551.68026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CN(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C27H29N5O4S2/c1-3-17-37-25-22(5-4-13-28-25)26(33)31-15-11-20(12-16-31)24-29-23(18-38-24)27(34)30(2)14-10-19-6-8-21(9-7-19)32(35)36/h3-9,13,18,20H,1,10-12,14-17H2,2H3