1-[4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide

Systemtic Name: 1-[4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: 1-[4-[2-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]ethyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: 1-[4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: 1-[4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: 1-[4-[2-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]ethyl]phenyl]-9-keto-thioxanthene-4-carboxamide Formula: C33H32N2O4S MolecularWeight: 552.68318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)NCCC2=CC=C(C=C2)C3=C4C(=C(C=C3)C(=O)N)SC5=CC=CC=C5C4=O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)NCCC2=CC=C(C=C2)C3=C4C(=C(C=C3)C(=O)N)SC5=CC=CC=C5C4=O

InChI

InChI=1S/C33H32N2O4S/c1-20(18-22-10-15-27(38-2)28(19-22)39-3)35-17-16-21-8-11-23(12-9-21)24-13-14-26(33(34)37)32-30(24)31(36)25-6-4-5-7-29(25)40-32/h4-15,19-20,35H,16-18H2,1-3H3,(H2,34,37)