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

Systemtic Name: 4-bromanyl-1-(2-diethylaminoethylamino)thioxanthen-9-one Openeye Name: 4-bromo-1-(2-diethylaminoethylamino)thioxanthen-9-one CAS Name: 4-bromo-1-(2-diethylaminoethylamino)-9-thioxanthenone IUPAC Name: 4-bromo-1-(2-diethylaminoethylamino)thioxanthen-9-one Traditional Name: 4-bromo-1-(2-diethylaminoethylamino)thioxanthen-9-one Formula: C19H21BrN2OS MolecularWeight: 405.35184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2OS/c1-3-22(4-2)12-11-21-15-10-9-14(20)19-17(15)18(23)13-7-5-6-8-16(13)24-19/h5-10,21H,3-4,11-12H2,1-2H3