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

Systemtic Name: N-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[5-[1-(3,4-dimethoxyphenyl)ethylamino]pentyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: N-[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)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NCCCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

InChI

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