3-(4-ethylpiperazin-1-yl)carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one hydrochloride

Systemtic Name: 3-(4-ethylpiperazin-1-yl)carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one hydrochloride Openeye Name: 3-(4-ethylpiperazine-1-carbonyl)-10,10-dioxo-thioxanthen-9-one hydrochloride CAS Name: 3-[(4-ethyl-1-piperazinyl)-oxomethyl]-10,10-dioxo-9-thioxanthenone hydrochloride IUPAC Name: 3-(4-ethylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one hydrochloride Traditional Name: 3-(4-ethylpiperazine-1-carbonyl)-10,10-diketo-thioxanthen-9-one hydrochloride Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O.Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O.Cl

InChI

InChI=1S/C20H20N2O4S.ClH/c1-2-21-9-11-22(12-10-21)20(24)14-7-8-16-18(13-14)27(25,26)17-6-4-3-5-15(17)19(16)23;/h3-8,13H,2,9-12H2,1H3;1H