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

Systemtic Name: N-[4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[2-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]ethyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: N-[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)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)NCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

InChI

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