1-[3-[4-[3-[(9-oxidanylidenethioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one

Systemtic Name: 1-[3-[4-[3-[(9-oxidanylidenethioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one Openeye Name: 1-[3-[4-[3-[(9-oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one CAS Name: 1-[3-[4-[3-[(9-oxo-1-thioxanthenyl)amino]propyl]-1-piperazinyl]propylamino]-9-thioxanthenone IUPAC Name: 1-[3-[4-[3-[(9-oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one Traditional Name: 1-[3-[4-[3-[(9-ketothioxanthen-1-yl)amino]propyl]piperazino]propylamino]thioxanthen-9-one Formula: C36H36N4O2S2 MolecularWeight: 620.82664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H36N4O2S2/c41-35-25-9-1-3-13-29(25)43-31-15-5-11-27(33(31)35)37-17-7-19-39-21-23-40(24-22-39)20-8-18-38-28-12-6-16-32-34(28)36(42)26-10-2-4-14-30(26)44-32/h1-6,9-16,37-38H,7-8,17-24H2