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

Systemtic Name: N-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]methyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]methyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]methyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]methyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: N-[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)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

InChI

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