(2-prop-2-enylsulfanylpyridin-3-yl)-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidin-1-yl]methanone

Systemtic Name: (2-prop-2-enylsulfanylpyridin-3-yl)-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidin-1-yl]methanone Openeye Name: (2-allylsulfanyl-3-pyridyl)-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiazol-2-yl]-1-piperidyl]methanone CAS Name: [4-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinyl]-[2-(prop-2-enylthio)-3-pyridinyl]methanone IUPAC Name: (2-prop-2-enylsulfanylpyridin-3-yl)-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone Traditional Name: [2-(allylthio)-3-pyridyl]-[4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]thiazol-2-yl]piperidino]methanone Formula: C26H29N7O2S2 MolecularWeight: 535.68416

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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)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H29N7O2S2/c1-2-17-36-23-20(5-3-8-27-23)24(34)31-11-6-19(7-12-31)22-30-21(18-37-22)25(35)32-13-15-33(16-14-32)26-28-9-4-10-29-26/h2-5,8-10,18-19H,1,6-7,11-17H2