[4-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-(4-methylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(4-methylsulfanyl-3-nitrobenzoyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-[4-(methylthio)-3-nitro-benzoyl]piperazino]-phenyl-methanone Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-27-17-8-7-15(13-16(17)22(25)26)19(24)21-11-9-20(10-12-21)18(23)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3