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

Systemtic Name: 4-(azanylmethyl)-1-(2-diethylaminoethylamino)thioxanthen-9-one Openeye Name: 4-(aminomethyl)-1-(2-diethylaminoethylamino)thioxanthen-9-one CAS Name: 4-(aminomethyl)-1-(2-diethylaminoethylamino)-9-thioxanthenone IUPAC Name: 4-(aminomethyl)-1-(2-diethylaminoethylamino)thioxanthen-9-one Traditional Name: 4-(aminomethyl)-1-(2-diethylaminoethylamino)thioxanthen-9-one Formula: C20H25N3OS MolecularWeight: 357.489542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)[14CH2]N)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H25N3OS/c1-3-23(4-2)12-11-22-16-10-9-14(13-21)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,22H,3-4,11-13,21H2,1-2H3/i13+2