N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-5-methoxy-9-oxidanylidene-thioxanthene-4-carboxamide

Systemtic Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-5-methoxy-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-5-methoxy-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-5-methoxy-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-5-methoxy-9-oxothioxanthene-4-carboxamide Traditional Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-keto-5-methoxy-thioxanthene-4-carboxamide Formula: C34H34N2O5S MolecularWeight: 582.70916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)NCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=C(C4=O)C=CC=C5OC

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=C(C4=O)C=CC=C5OC

InChI

InChI=1S/C34H34N2O5S/c1-21(23-15-18-28(39-2)30(20-23)41-4)35-19-7-8-22-13-16-24(17-14-22)36-34(38)27-11-5-9-25-31(37)26-10-6-12-29(40-3)33(26)42-32(25)27/h5-6,9-18,20-21,35H,7-8,19H2,1-4H3,(H,36,38)