N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-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-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)thiazole-4-carboxamide CAS Name: N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-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-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)thiazole-4-carboxamide Formula: C27H32N6O2S2 MolecularWeight: 536.71198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2CCCCC2=N1)N(C)C(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

Isomeric SMILES

CN1C(=C2CCCCC2=N1)N(C)C(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

InChI

InChI=1S/C27H32N6O2S2/c1-4-16-36-24-20(9-7-13-28-24)26(34)33-14-11-18(12-15-33)23-29-22(17-37-23)27(35)31(2)25-19-8-5-6-10-21(19)30-32(25)3/h4,7,9,13,17-18H,1,5-6,8,10-12,14-16H2,2-3H3