1-[4-(1H-indol-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(1H-indol-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[4-(1H-indol-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(1H-indol-4-yl)-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-(1H-indol-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(1H-indol-4-yl)piperazino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4

InChI

InChI=1S/C23H25N3O2S/c1-29-18-7-5-17(6-8-18)22(27)9-10-23(28)26-15-13-25(14-16-26)21-4-2-3-20-19(21)11-12-24-20/h2-8,11-12,24H,9-10,13-16H2,1H3