2-[1-[2-(3,4-dimethylphenoxy)ethanoyl]piperidin-4-yl]-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[1-[2-(3,4-dimethylphenoxy)ethanoyl]piperidin-4-yl]-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-[2-(3,4-dimethylphenoxy)acetyl]-4-piperidyl]-N-[(2-nitrophenyl)methyl]thiazole-4-carboxamide CAS Name: 2-[1-[2-(3,4-dimethylphenoxy)-1-oxoethyl]-4-piperidinyl]-N-[(2-nitrophenyl)methyl]-4-thiazolecarboxamide IUPAC Name: 2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(3,4-dimethylphenoxy)acetyl]-4-piperidyl]-N-(2-nitrobenzyl)thiazole-4-carboxamide Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C26H28N4O5S/c1-17-7-8-21(13-18(17)2)35-15-24(31)29-11-9-19(10-12-29)26-28-22(16-36-26)25(32)27-14-20-5-3-4-6-23(20)30(33)34/h3-8,13,16,19H,9-12,14-15H2,1-2H3,(H,27,32)