1-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide

Systemtic Name: 1-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: 1-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: 1-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: 1-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: 1-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-keto-thioxanthene-4-carboxamide Formula: C35H36N2O4S MolecularWeight: 580.73634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)NCCCCCC2=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)NCCCCCC2=CC=C(C=C2)C3=C4C(=C(C=C3)C(=O)N)SC5=CC=CC=C5C4=O

InChI

InChI=1S/C35H36N2O4S/c1-22(25-16-19-29(40-2)30(21-25)41-3)37-20-8-4-5-9-23-12-14-24(15-13-23)26-17-18-28(35(36)39)34-32(26)33(38)27-10-6-7-11-31(27)42-34/h6-7,10-19,21-22,37H,4-5,8-9,20H2,1-3H3,(H2,36,39)