N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[5-chloro-2-(4-methylpiperazino)phenyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H22ClN3O4S/c1-28-10-12-29(13-11-28)21-9-7-17(26)15-20(21)27-25(31)16-6-8-19-23(14-16)34(32,33)22-5-3-2-4-18(22)24(19)30/h2-9,14-15H,10-13H2,1H3,(H,27,31)