N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]ethanamide

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]ethanamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]acetamide CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]acetamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]acetamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-4-25(5-2)13-12-23-18-11-10-16(14-24-15(3)26)22-20(18)21(27)17-8-6-7-9-19(17)28-22/h6-11,23H,4-5,12-14H2,1-3H3,(H,24,26)