N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazino]propyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-30-20-7-3-18(4-8-20)25-15-13-24(14-16-25)12-2-11-23-22(27)17-31-21-9-5-19(6-10-21)26(28)29/h3-10H,2,11-17H2,1H3,(H,23,27)