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

Systemtic Name: 10,10-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-thioxanthen-9-one hydrochloride Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-10,10-dioxo-thioxanthen-9-one hydrochloride CAS Name: 10,10-dioxo-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-9-thioxanthenone hydrochloride IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one hydrochloride Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-10,10-diketo-thioxanthen-9-one hydrochloride Formula: C25H23ClN2O4S MolecularWeight: 482.97912

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S.ClH/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;1H