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

Systemtic Name: N-(3,3-diphenylpropyl)-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-(3,3-diphenylpropyl)thiazole-4-carboxamide CAS Name: N-(3,3-diphenylpropyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(3,3-diphenylpropyl)-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-(3,3-diphenylpropyl)thiazole-4-carboxamide Formula: C33H34N4O2S2 MolecularWeight: 582.77866

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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)NCCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H34N4O2S2/c1-2-22-40-32-28(14-9-18-35-32)33(39)37-20-16-26(17-21-37)31-36-29(23-41-31)30(38)34-19-15-27(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h2-14,18,23,26-27H,1,15-17,19-22H2,(H,34,38)