1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-[2-(phenylmethyl)-1,3-thiazol-4-yl]ethanone

Systemtic Name: 1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-[2-(phenylmethyl)-1,3-thiazol-4-yl]ethanone Openeye Name: 2-(2-benzylthiazol-4-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-2-[2-(phenylmethyl)-4-thiazolyl]ethanone IUPAC Name: 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-benzylthiazol-4-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]ethanone Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CSC(=N2)CC3=CC=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CSC(=N2)CC3=CC=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S2/c26-19(13-16-14-30-18(22-16)12-15-4-2-1-3-5-15)23-8-10-24(11-9-23)21(27)17-6-7-20(31-17)25(28)29/h1-7,14H,8-13H2