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

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(4-nitrophenyl)thio]propan-1-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c1-16(27-19-9-7-18(8-10-19)23(25)26)20(24)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3