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

Systemtic Name: 1-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]methyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: 1-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]methyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: 1-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]methyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: 1-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]methyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: 1-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]methyl]phenyl]-9-keto-thioxanthene-4-carboxamide Formula: C31H28N2O4S MolecularWeight: 524.63002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)NCC2=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)NCC2=CC=C(C=C2)C3=C4C(=C(C=C3)C(=O)N)SC5=CC=CC=C5C4=O

InChI

InChI=1S/C31H28N2O4S/c1-18(21-12-15-25(36-2)26(16-21)37-3)33-17-19-8-10-20(11-9-19)22-13-14-24(31(32)35)30-28(22)29(34)23-6-4-5-7-27(23)38-30/h4-16,18,33H,17H2,1-3H3,(H2,32,35)