N-[4-[4-[2-(4-methylsulfanylphenyl)ethylamino]butyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide

Systemtic Name: N-[4-[4-[2-(4-methylsulfanylphenyl)ethylamino]butyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: N-[4-[4-[2-(4-methylsulfanylphenyl)ethylamino]butyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: N-[4-[4-[2-[4-(methylthio)phenyl]ethylamino]butyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: N-[4-[4-[2-(4-methylsulfanylphenyl)ethylamino]butyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: 9-keto-N-[4-[4-[2-[4-(methylthio)phenyl]ethylamino]butyl]phenyl]thioxanthene-4-carboxamide Formula: C33H32N2O2S2 MolecularWeight: 552.74938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNCCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

Isomeric SMILES

CSC1=CC=C(C=C1)CCNCCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3SC5=CC=CC=C5C4=O

InChI

InChI=1S/C33H32N2O2S2/c1-38-26-18-14-24(15-19-26)20-22-34-21-5-4-7-23-12-16-25(17-13-23)35-33(37)29-10-6-9-28-31(36)27-8-2-3-11-30(27)39-32(28)29/h2-3,6,8-19,34H,4-5,7,20-22H2,1H3,(H,35,37)