4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(3-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(3-methoxyphenyl)piperazino]butan-1-one Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O2S/c1-28-18-7-4-6-17(16-18)25-11-13-26(14-12-25)21(27)10-5-15-29-22-23-19-8-2-3-9-20(19)24-22/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,24)