N-[[7-bromanyl-1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]methanamide

Systemtic Name: N-[[7-bromanyl-1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]methanamide Openeye Name: N-[[7-bromo-1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]formamide CAS Name: N-[[7-bromo-1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]formamide IUPAC Name: N-[[7-bromo-1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]formamide Traditional Name: N-[[7-bromo-1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]formamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNC=O)SC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNC=O)SC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3O2S/c1-3-25(4-2)10-9-24-17-7-5-14(12-23-13-26)21-19(17)20(27)16-11-15(22)6-8-18(16)28-21/h5-8,11,13,24H,3-4,9-10,12H2,1-2H3,(H,23,26)