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

Systemtic Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(3-methoxyphenyl)piperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-26-17-4-2-3-16(13-17)20-9-11-21(12-10-20)19(23)14-27-18-7-5-15(6-8-18)22(24)25/h2-8,13H,9-12,14H2,1H3