10,10-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-thioxanthen-9-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 10,10-dioxo-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-9-thioxanthenone IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H22N2O4S/c28-24-20-8-4-5-9-22(20)32(30,31)23-16-19(10-11-21(23)24)25(29)27-14-12-26(13-15-27)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2