(4-methylsulfanyl-3-nitro-phenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(8-quinolylmethyl)piperazin-1-yl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(8-quinolinylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-(8-quinolylmethyl)piperazino]methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-30-20-8-7-17(14-19(20)26(28)29)22(27)25-12-10-24(11-13-25)15-18-5-2-4-16-6-3-9-23-21(16)18/h2-9,14H,10-13,15H2,1H3