[4-(4-nitrophenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone Openeye Name: (2-isopropylsulfanylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[2-(propan-2-ylthio)phenyl]methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone Traditional Name: [2-(isopropylthio)phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c1-15(2)27-19-6-4-3-5-18(19)20(24)22-13-11-21(12-14-22)16-7-9-17(10-8-16)23(25)26/h3-10,15H,11-14H2,1-2H3