2-(4-nitrophenyl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3O4S2/c21-16(12-26-14-5-3-13(4-6-14)20(23)24)18-7-9-19(10-8-18)17(22)15-2-1-11-25-15/h1-6,11H,7-10,12H2