3-[4-(2-methoxyethyl)piperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-[4-(2-methoxyethyl)piperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[4-(2-methoxyethyl)-1-piperazinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 10,10-diketo-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]thioxanthen-9-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H22N2O5S/c1-28-13-12-22-8-10-23(11-9-22)21(25)15-6-7-17-19(14-15)29(26,27)18-5-3-2-4-16(18)20(17)24/h2-7,14H,8-13H2,1H3