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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)NCCCOC2=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)NCCCOC2=CC=C(C=C2)C3=C4C(=C(C=C3)C(=O)N)SC5=CC=CC=C5C4=O

InChI

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