N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]ethyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide

Systemtic Name: N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]ethyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]ethyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: 9-keto-N-[4-[2-[methyl(veratryl)amino]ethyl]phenyl]thioxanthene-4-carboxamide Formula: C32H30N2O4S MolecularWeight: 538.6566

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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)CC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CN(CCC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)CC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C32H30N2O4S/c1-34(20-22-13-16-27(37-2)28(19-22)38-3)18-17-21-11-14-23(15-12-21)33-32(36)26-9-6-8-25-30(35)24-7-4-5-10-29(24)39-31(25)26/h4-16,19H,17-18,20H2,1-3H3,(H,33,36)