4-(aminomethyl)-7-bromanyl-1-(2-diethylaminoethylamino)thioxanthen-9-one

Systemtic Name: 4-(aminomethyl)-7-bromanyl-1-(2-diethylaminoethylamino)thioxanthen-9-one Openeye Name: 4-(aminomethyl)-7-bromo-1-(2-diethylaminoethylamino)thioxanthen-9-one CAS Name: 4-(aminomethyl)-7-bromo-1-(2-diethylaminoethylamino)-9-thioxanthenone IUPAC Name: 4-(aminomethyl)-7-bromo-1-(2-diethylaminoethylamino)thioxanthen-9-one Traditional Name: 4-(aminomethyl)-7-bromo-1-(2-diethylaminoethylamino)thioxanthen-9-one Formula: C20H24BrN3OS MolecularWeight: 434.39306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CN)SC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CN)SC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3OS/c1-3-24(4-2)10-9-23-16-7-5-13(12-22)20-18(16)19(25)15-11-14(21)6-8-17(15)26-20/h5-8,11,23H,3-4,9-10,12,22H2,1-2H3