N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(5-acetyl-4-phenyl-2-thiazolyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4S/c1-15(28)21-20(16-8-4-2-5-9-16)24-23(32-21)25-22(29)17-10-11-18(19(14-17)27(30)31)26-12-6-3-7-13-26/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,24,25,29)