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

Systemtic Name: N-[2-(3-methoxyphenyl)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-[2-(3-methoxyphenyl)ethyl]thiazole-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)ethyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)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-[2-(3-methoxyphenyl)ethyl]thiazole-4-carboxamide Formula: C27H30N4O3S2 MolecularWeight: 522.6821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

COC1=CC=CC(=C1)CCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C27H30N4O3S2/c1-3-16-35-26-22(8-5-12-29-26)27(33)31-14-10-20(11-15-31)25-30-23(18-36-25)24(32)28-13-9-19-6-4-7-21(17-19)34-2/h3-8,12,17-18,20H,1,9-11,13-16H2,2H3,(H,28,32)