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

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-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-(1-benzylpyrrolidin-3-yl)thiazole-4-carboxamide CAS Name: 2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-N-[1-(phenylmethyl)-3-pyrrolidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-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-(1-benzylpyrrolidin-3-yl)thiazole-4-carboxamide Formula: C29H33N5O2S2 MolecularWeight: 547.73462

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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)NC4CCN(C4)CC5=CC=CC=C5

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4CCN(C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O2S2/c1-2-17-37-28-24(9-6-13-30-28)29(36)34-15-10-22(11-16-34)27-32-25(20-38-27)26(35)31-23-12-14-33(19-23)18-21-7-4-3-5-8-21/h2-9,13,20,22-23H,1,10-12,14-19H2,(H,31,35)