1-[3-(diethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one

Systemtic Name: 1-[3-(diethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one Openeye Name: 1-[3-(diethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one CAS Name: 1-[3-(diethylamino)propylamino]-4-(methylaminomethyl)-9-thioxanthenone IUPAC Name: 1-[3-(diethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one Traditional Name: 1-[3-(diethylamino)propylamino]-4-(methylaminomethyl)thioxanthen-9-one Formula: C22H29N3OS MolecularWeight: 383.55016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C2C(=C(C=C1)CNC)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCCNC1=C2C(=C(C=C1)CNC)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H29N3OS/c1-4-25(5-2)14-8-13-24-18-12-11-16(15-23-3)22-20(18)21(26)17-9-6-7-10-19(17)27-22/h6-7,9-12,23-24H,4-5,8,13-15H2,1-3H3