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

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]methanamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]formamide CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]formamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]formamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]formamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-3-24(4-2)12-11-23-17-10-9-15(13-22-14-25)21-19(17)20(26)16-7-5-6-8-18(16)27-21/h5-10,14,23H,3-4,11-13H2,1-2H3,(H,22,25)