1-[2-nitro-4-(phenylcarbonyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: 1-[2-nitro-4-(phenylcarbonyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: 1-(4-benzoyl-2-nitro-phenyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(4-benzoyl-2-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(4-benzoyl-2-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(4-benzoyl-2-nitro-phenyl)-N-(1,3,4-thiadiazol-2-yl)nipecotamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)NC4=NN=CS4

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)NC4=NN=CS4

InChI

InChI=1S/C21H19N5O4S/c27-19(14-5-2-1-3-6-14)15-8-9-17(18(11-15)26(29)30)25-10-4-7-16(12-25)20(28)23-21-24-22-13-31-21/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H,23,24,28)