2-(4-methylphenyl)sulfanyl-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazino]-2-(p-tolylthio)ethanone Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S2/c1-13-2-4-14(5-3-13)26-12-16(22)19-8-10-20(11-9-19)18(23)15-6-7-17(27-15)21(24)25/h2-7H,8-12H2,1H3