(5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methanone IUPAC Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-[2-(phenylthio)ethyl]piperazino]methanone Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27N3O5S/c1-3-30-21-15-18(19(25(27)28)16-20(21)29-2)22(26)24-11-9-23(10-12-24)13-14-31-17-7-5-4-6-8-17/h4-8,15-16H,3,9-14H2,1-2H3