N-[[1-[3-(dimethylamino)propylamino]-9-oxidanylidene-thioxanthen-4-yl]methyl]-N-methyl-methanamide

Systemtic Name: N-[[1-[3-(dimethylamino)propylamino]-9-oxidanylidene-thioxanthen-4-yl]methyl]-N-methyl-methanamide Openeye Name: N-[[1-[3-(dimethylamino)propylamino]-9-oxo-thioxanthen-4-yl]methyl]-N-methyl-formamide CAS Name: N-[[1-[3-(dimethylamino)propylamino]-9-oxo-4-thioxanthenyl]methyl]-N-methylformamide IUPAC Name: N-[[1-[3-(dimethylamino)propylamino]-9-oxothioxanthen-4-yl]methyl]-N-methylformamide Traditional Name: N-[[1-[3-(dimethylamino)propylamino]-9-keto-thioxanthen-4-yl]methyl]-N-methyl-formamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C2C(=C(C=C1)CN(C)C=O)SC3=CC=CC=C3C2=O

Isomeric SMILES

CN(C)CCCNC1=C2C(=C(C=C1)CN(C)C=O)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H25N3O2S/c1-23(2)12-6-11-22-17-10-9-15(13-24(3)14-25)21-19(17)20(26)16-7-4-5-8-18(16)27-21/h4-5,7-10,14,22H,6,11-13H2,1-3H3