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

Systemtic Name: 1-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: 1-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: 1-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: 1-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: 1-[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)C3=C4C(=C(C=C3)C(=O)N)SC5=CC=CC=C5C4=O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NCCCC2=CC=C(C=C2)C3=C4C(=C(C=C3)C(=O)N)SC5=CC=CC=C5C4=O

InChI

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