1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[2-(phenylmethyl)-1,3-thiazol-4-yl]ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[2-(phenylmethyl)-1,3-thiazol-4-yl]ethanone Openeye Name: 2-(2-benzylthiazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-[2-(phenylmethyl)-4-thiazolyl]ethanone IUPAC Name: 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-benzylthiazol-4-yl)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CSC(=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CSC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c27-22(15-18-16-30-21(23-18)14-17-4-2-1-3-5-17)25-12-10-24(11-13-25)19-6-8-20(9-7-19)26(28)29/h1-9,16H,10-15H2