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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-10,10-diketo-thioxanthen-9-one Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO3S/c24-22-18-7-3-4-8-20(18)27(25,26)21-13-17(9-10-19(21)22)23-12-11-15-5-1-2-6-16(15)14-23/h1-10,13H,11-12,14H2