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

Systemtic Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propoxy]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[3-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]propoxy]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propoxy]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propoxy]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: N-[4-[3-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]propoxy]phenyl]-9-keto-thioxanthene-4-carboxamide Formula: C34H34N2O5S MolecularWeight: 582.70916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)NCCCOC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)NCCCOC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

InChI

InChI=1S/C34H34N2O5S/c1-22(20-23-12-17-29(39-2)30(21-23)40-3)35-18-7-19-41-25-15-13-24(14-16-25)36-34(38)28-10-6-9-27-32(37)26-8-4-5-11-31(26)42-33(27)28/h4-6,8-17,21-22,35H,7,18-20H2,1-3H3,(H,36,38)