(2R)-2-(4-methylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-methylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(p-tolylsulfanyl)propan-1-one CAS Name: (2R)-2-[(4-methylphenyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-methylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: (2R)-1-[4-(4-nitrophenyl)piperazino]-2-(p-tolylthio)propan-1-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c1-15-3-9-19(10-4-15)27-16(2)20(24)22-13-11-21(12-14-22)17-5-7-18(8-6-17)23(25)26/h3-10,16H,11-14H2,1-2H3/t16-/m1/s1