1-[4-[4-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide

Systemtic Name: 1-[4-[4-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: 1-[4-[4-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: 1-[4-[4-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: 1-[4-[4-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: 1-[4-[4-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenyl]-9-keto-thioxanthene-4-carboxamide Formula: C34H34N2O4S MolecularWeight: 566.70976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)NCCCCC2=CC=C(C=C2)C3=C4C(=C(C=C3)C(=O)N)SC5=CC=CC=C5C4=O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NCCCCC2=CC=C(C=C2)C3=C4C(=C(C=C3)C(=O)N)SC5=CC=CC=C5C4=O

InChI

InChI=1S/C34H34N2O4S/c1-21(24-15-18-28(39-2)29(20-24)40-3)36-19-7-6-8-22-11-13-23(14-12-22)25-16-17-27(34(35)38)33-31(25)32(37)26-9-4-5-10-30(26)41-33/h4-5,9-18,20-21,36H,6-8,19H2,1-3H3,(H2,35,38)