1-(2-diethylaminoethylamino)-4-(methylaminomethyl)thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(methylaminomethyl)thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-4-(methylaminomethyl)thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-4-(methylaminomethyl)-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-4-(methylaminomethyl)thioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-4-(methylaminomethyl)thioxanthen-9-one Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNC)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNC)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H27N3OS/c1-4-24(5-2)13-12-23-17-11-10-15(14-22-3)21-19(17)20(25)16-8-6-7-9-18(16)26-21/h6-11,22-23H,4-5,12-14H2,1-3H3