N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)isonipecotamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-2-24(21-22-16-7-3-6-10-19(16)29-21)20(26)15-11-13-23(14-12-15)17-8-4-5-9-18(17)25(27)28/h3-10,15H,2,11-14H2,1H3