N-[4-[3-[2-(4-methoxyphenyl)ethylamino]propyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide

Systemtic Name: N-[4-[3-[2-(4-methoxyphenyl)ethylamino]propyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[3-[2-(4-methoxyphenyl)ethylamino]propyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[3-[2-(4-methoxyphenyl)ethylamino]propyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[3-[2-(4-methoxyphenyl)ethylamino]propyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: 9-keto-N-[4-[3-[2-(4-methoxyphenyl)ethylamino]propyl]phenyl]thioxanthene-4-carboxamide Formula: C32H30N2O3S MolecularWeight: 522.6572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=C(C=C1)CCNCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

InChI

InChI=1S/C32H30N2O3S/c1-37-25-17-13-23(14-18-25)19-21-33-20-5-6-22-11-15-24(16-12-22)34-32(36)28-9-4-8-27-30(35)26-7-2-3-10-29(26)38-31(27)28/h2-4,7-18,33H,5-6,19-21H2,1H3,(H,34,36)