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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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