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

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]benzamide Openeye Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]benzamide CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]benzamide IUPAC Name: N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]benzamide Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNC(=O)C3=CC=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNC(=O)C3=CC=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C27H29N3O2S/c1-3-30(4-2)17-16-28-22-15-14-20(18-29-27(32)19-10-6-5-7-11-19)26-24(22)25(31)21-12-8-9-13-23(21)33-26/h5-15,28H,3-4,16-18H2,1-2H3,(H,29,32)