1-(2-diethylaminoethylamino)-7-methoxy-4-(methylaminomethyl)thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-7-methoxy-4-(methylaminomethyl)thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-7-methoxy-4-(methylaminomethyl)thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-7-methoxy-4-(methylaminomethyl)-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-7-methoxy-4-(methylaminomethyl)thioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-7-methoxy-4-(methylaminomethyl)thioxanthen-9-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNC)SC3=C(C2=O)C=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNC)SC3=C(C2=O)C=C(C=C3)OC

InChI

InChI=1S/C22H29N3O2S/c1-5-25(6-2)12-11-24-18-9-7-15(14-23-3)22-20(18)21(26)17-13-16(27-4)8-10-19(17)28-22/h7-10,13,23-24H,5-6,11-12,14H2,1-4H3