N-[1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]piperidin-4-yl]-9-oxidanylidene-thioxanthene-4-carboxamide

Systemtic Name: N-[1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]piperidin-4-yl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-piperidyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-piperidinyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]piperidin-4-yl]-9-oxothioxanthene-4-carboxamide Traditional Name: N-[1-[3-[homoveratryl(methyl)amino]propyl]-4-piperidyl]-9-keto-thioxanthene-4-carboxamide Formula: C33H39N3O4S MolecularWeight: 573.74546

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC(CC1)NC(=O)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)CCC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CN(CCCN1CCC(CC1)NC(=O)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)CCC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C33H39N3O4S/c1-35(19-14-23-12-13-28(39-2)29(22-23)40-3)17-7-18-36-20-15-24(16-21-36)34-33(38)27-10-6-9-26-31(37)25-8-4-5-11-30(25)41-32(26)27/h4-6,8-13,22,24H,7,14-21H2,1-3H3,(H,34,38)