3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C23H17NO4S MolecularWeight: 403.45038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C23H17NO4S/c25-22-18-7-3-4-8-20(18)29(27,28)21-13-16(9-10-19(21)22)23(26)24-12-11-15-5-1-2-6-17(15)14-24/h1-10,13H,11-12,14H2