N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-(2-nitrophenyl)isonipecotamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3S/c1-12(2)11-16-20-21-18(27-16)19-17(24)13-7-9-22(10-8-13)14-5-3-4-6-15(14)23(25)26/h3-6,12-13H,7-11H2,1-2H3,(H,19,21,24)