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

Systemtic Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-keto-thioxanthene-4-carboxamide Formula: C33H32N2O4S MolecularWeight: 552.68318

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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=CC=CC=C5C4=O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

InChI

InChI=1S/C33H32N2O4S/c1-21(23-15-18-28(38-2)29(20-23)39-3)34-19-7-8-22-13-16-24(17-14-22)35-33(37)27-11-6-10-26-31(36)25-9-4-5-12-30(25)40-32(26)27/h4-6,9-18,20-21,34H,7-8,19H2,1-3H3,(H,35,37)