2-[2-(1-methylpyrrolidin-2-yl)ethylamino]thioxanthen-9-one

Systemtic Name: 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]thioxanthen-9-one Openeye Name: 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]thioxanthen-9-one CAS Name: 2-[2-(1-methyl-2-pyrrolidinyl)ethylamino]-9-thioxanthenone IUPAC Name: 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]thioxanthen-9-one Traditional Name: 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]thioxanthen-9-one Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNC2=CC3=C(C=C2)SC4=CC=CC=C4C3=O

Isomeric SMILES

CN1CCCC1CCNC2=CC3=C(C=C2)SC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H22N2OS/c1-22-12-4-5-15(22)10-11-21-14-8-9-19-17(13-14)20(23)16-6-2-3-7-18(16)24-19/h2-3,6-9,13,15,21H,4-5,10-12H2,1H3