1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(3-methoxyphenyl)piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-15(28-19-8-6-16(7-9-19)23(25)26)20(24)22-12-10-21(11-13-22)17-4-3-5-18(14-17)27-2/h3-9,14-15H,10-13H2,1-2H3