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

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

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NCCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

InChI

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