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

Systemtic Name: N-[(2-nitrophenyl)methyl]-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-nitrophenyl)methyl]thiazole-4-carboxamide CAS Name: N-[(2-nitrophenyl)methyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(2-nitrophenyl)methyl]-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-nitrobenzyl)thiazole-4-carboxamide Formula: C25H25N5O4S2 MolecularWeight: 523.6271

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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)NCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O4S2/c1-2-14-35-24-19(7-5-11-26-24)25(32)29-12-9-17(10-13-29)23-28-20(16-36-23)22(31)27-15-18-6-3-4-8-21(18)30(33)34/h2-8,11,16-17H,1,9-10,12-15H2,(H,27,31)