N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[4-methyl-5-(2-pyridinyl)-2-thiazolyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]-5-nitro-2-piperidino-benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C4=CC=CC=N4

InChI

InChI=1S/C21H21N5O3S/c1-14-19(17-7-3-4-10-22-17)30-21(23-14)24-20(27)16-13-15(26(28)29)8-9-18(16)25-11-5-2-6-12-25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,23,24,27)