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

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(1-naphthylmethyl)piperazin-1-yl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(1-naphthalenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-(1-naphthylmethyl)piperazino]methanone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O3S/c1-30-22-10-9-18(15-21(22)26(28)29)23(27)25-13-11-24(12-14-25)16-19-7-4-6-17-5-2-3-8-20(17)19/h2-10,15H,11-14,16H2,1H3