1-(2-methylsulfanyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethane-1,2-dione

Systemtic Name: 1-(2-methylsulfanyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethane-1,2-dione Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2-methylsulfanyl-1H-indol-3-yl)ethane-1,2-dione CAS Name: 1-[2-(methylthio)-1H-indol-3-yl]-2-[4-(phenylmethyl)-1-piperazinyl]ethane-1,2-dione IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2-methylsulfanyl-1H-indol-3-yl)ethane-1,2-dione Traditional Name: 1-(4-benzylpiperazino)-2-[2-(methylthio)-1H-indol-3-yl]ethane-1,2-dione Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C2=CC=CC=C2N1)C(=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-28-21-19(17-9-5-6-10-18(17)23-21)20(26)22(27)25-13-11-24(12-14-25)15-16-7-3-2-4-8-16/h2-10,23H,11-15H2,1H3