3-piperazin-1-ylcarbonylthioxanthen-9-one hydrochloride

Systemtic Name: 3-piperazin-1-ylcarbonylthioxanthen-9-one hydrochloride Openeye Name: 3-(piperazine-1-carbonyl)thioxanthen-9-one hydrochloride CAS Name: 3-[oxo(1-piperazinyl)methyl]-9-thioxanthenone hydrochloride IUPAC Name: 3-(piperazine-1-carbonyl)thioxanthen-9-one hydrochloride Traditional Name: 3-(piperazine-1-carbonyl)thioxanthen-9-one hydrochloride Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3.Cl

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3.Cl

InChI

InChI=1S/C18H16N2O2S.ClH/c21-17-13-3-1-2-4-15(13)23-16-11-12(5-6-14(16)17)18(22)20-9-7-19-8-10-20;/h1-6,11,19H,7-10H2;1H