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

Systemtic Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propylthio]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: N-[4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]propylthio]phenyl]-9-keto-thioxanthene-4-carboxamide Formula: C33H32N2O4S2 MolecularWeight: 584.74818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)NCCCSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NCCCSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

InChI

InChI=1S/C33H32N2O4S2/c1-21(22-12-17-28(38-2)29(20-22)39-3)34-18-7-19-40-24-15-13-23(14-16-24)35-33(37)27-10-6-9-26-31(36)25-8-4-5-11-30(25)41-32(26)27/h4-6,8-17,20-21,34H,7,18-19H2,1-3H3,(H,35,37)