N-[4-[2-[2-(4-methoxyphenyl)ethyl-methyl-amino]ethyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)CCC5=CC=C(C=C5)OC

Isomeric SMILES

CN(CCC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)CCC5=CC=C(C=C5)OC

InChI

InChI=1S/C32H30N2O3S/c1-34(21-19-23-12-16-25(37-2)17-13-23)20-18-22-10-14-24(15-11-22)33-32(36)28-8-5-7-27-30(35)26-6-3-4-9-29(26)38-31(27)28/h3-17H,18-21H2,1-2H3,(H,33,36)