1-(4-chloranyl-1H-indol-3-yl)-2-[4-(4-pyridin-2-yl-2-sulfanyl-phenyl)carbonylpiperazin-1-yl]ethane-1,2-dione

Systemtic Name: 1-(4-chloranyl-1H-indol-3-yl)-2-[4-(4-pyridin-2-yl-2-sulfanyl-phenyl)carbonylpiperazin-1-yl]ethane-1,2-dione Openeye Name: 1-(4-chloro-1H-indol-3-yl)-2-[4-[4-(2-pyridyl)-2-sulfanyl-benzoyl]piperazin-1-yl]ethane-1,2-dione CAS Name: 1-(4-chloro-1H-indol-3-yl)-2-[4-[[2-mercapto-4-(2-pyridinyl)phenyl]-oxomethyl]-1-piperazinyl]ethane-1,2-dione IUPAC Name: 1-(4-chloro-1H-indol-3-yl)-2-[4-(4-pyridin-2-yl-2-sulfanylbenzoyl)piperazin-1-yl]ethane-1,2-dione Traditional Name: 1-(4-chloro-1H-indol-3-yl)-2-[4-[2-mercapto-4-(2-pyridyl)benzoyl]piperazino]ethane-1,2-dione Formula: C26H21ClN4O3S MolecularWeight: 504.98794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=C(C=C2)C3=CC=CC=N3)S)C(=O)C(=O)C4=CNC5=C4C(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=C(C=C2)C3=CC=CC=N3)S)C(=O)C(=O)C4=CNC5=C4C(=CC=C5)Cl

InChI

InChI=1S/C26H21ClN4O3S/c27-19-4-3-6-21-23(19)18(15-29-21)24(32)26(34)31-12-10-30(11-13-31)25(33)17-8-7-16(14-22(17)35)20-5-1-2-9-28-20/h1-9,14-15,29,35H,10-13H2