N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-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-[2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]thiazole-4-carboxamide CAS Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-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-[2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]thiazole-4-carboxamide Formula: C27H29N5O4S2 MolecularWeight: 551.68026

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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)NC(CC4=CC=C(C=C4)O)C(=O)N

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)N

InChI

InChI=1S/C27H29N5O4S2/c1-2-14-37-26-20(4-3-11-29-26)27(36)32-12-9-18(10-13-32)25-31-22(16-38-25)24(35)30-21(23(28)34)15-17-5-7-19(33)8-6-17/h2-8,11,16,18,21,33H,1,9-10,12-15H2,(H2,28,34)(H,30,35)