(4-butoxy-3-methoxy-phenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanethione

Systemtic Name: (4-butoxy-3-methoxy-phenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanethione Openeye Name: (4-butoxy-3-methoxy-phenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanethione CAS Name: (4-butoxy-3-methoxyphenyl)-[4-(4-fluorophenyl)-1-piperazinyl]methanethione IUPAC Name: (4-butoxy-3-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanethione Traditional Name: (4-butoxy-3-methoxy-phenyl)-[4-(4-fluorophenyl)piperazino]methanethione Formula: C22H27FN2O2S MolecularWeight: 402.525383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H27FN2O2S/c1-3-4-15-27-20-10-5-17(16-21(20)26-2)22(28)25-13-11-24(12-14-25)19-8-6-18(23)7-9-19/h5-10,16H,3-4,11-15H2,1-2H3