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

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: (4-benzylpiperazino)-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c1-26-18-8-7-16(13-17(18)22(24)25)19(23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3