1-[3-[4-[3-[(4-methanoyl-9-oxidanylidene-thioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]-9-oxidanylidene-thioxanthene-4-carbaldehyde

Systemtic Name: 1-[3-[4-[3-[(4-methanoyl-9-oxidanylidene-thioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]-9-oxidanylidene-thioxanthene-4-carbaldehyde Openeye Name: 1-[3-[4-[3-[(4-formyl-9-oxo-thioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]-9-oxo-thioxanthene-4-carbaldehyde CAS Name: 1-[3-[4-[3-[(4-formyl-9-oxo-1-thioxanthenyl)amino]propyl]-1-piperazinyl]propylamino]-9-oxo-4-thioxanthenecarboxaldehyde IUPAC Name: 1-[3-[4-[3-[(4-formyl-9-oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]-9-oxothioxanthene-4-carbaldehyde Traditional Name: 1-[3-[4-[3-[(4-formyl-9-keto-thioxanthen-1-yl)amino]propyl]piperazino]propylamino]-9-keto-thioxanthene-4-carbaldehyde Formula: C38H36N4O4S2 MolecularWeight: 676.84684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C3C(=C(C=C2)C=O)SC4=CC=CC=C4C3=O)CCCNC5=C6C(=C(C=C5)C=O)SC7=CC=CC=C7C6=O

Isomeric SMILES

C1CN(CCN1CCCNC2=C3C(=C(C=C2)C=O)SC4=CC=CC=C4C3=O)CCCNC5=C6C(=C(C=C5)C=O)SC7=CC=CC=C7C6=O

InChI

InChI=1S/C38H36N4O4S2/c43-23-25-11-13-29(33-35(45)27-7-1-3-9-31(27)47-37(25)33)39-15-5-17-41-19-21-42(22-20-41)18-6-16-40-30-14-12-26(24-44)38-34(30)36(46)28-8-2-4-10-32(28)48-38/h1-4,7-14,23-24,39-40H,5-6,15-22H2