3-[2-(4-methoxyphenyl)ethylamino]-9-oxidanylidene-1-phenyl-2-propyl-thioxanthene-4-carboxamide

Systemtic Name: 3-[2-(4-methoxyphenyl)ethylamino]-9-oxidanylidene-1-phenyl-2-propyl-thioxanthene-4-carboxamide Openeye Name: 3-[2-(4-methoxyphenyl)ethylamino]-9-oxo-1-phenyl-2-propyl-thioxanthene-4-carboxamide CAS Name: 3-[2-(4-methoxyphenyl)ethylamino]-9-oxo-1-phenyl-2-propyl-4-thioxanthenecarboxamide IUPAC Name: 3-[2-(4-methoxyphenyl)ethylamino]-9-oxo-1-phenyl-2-propylthioxanthene-4-carboxamide Traditional Name: 9-keto-3-[2-(4-methoxyphenyl)ethylamino]-1-phenyl-2-propyl-thioxanthene-4-carboxamide Formula: C32H30N2O3S MolecularWeight: 522.6572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=CC=CC=C4S2)C(=O)N)NCCC5=CC=C(C=C5)OC

Isomeric SMILES

CCCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=CC=CC=C4S2)C(=O)N)NCCC5=CC=C(C=C5)OC

InChI

InChI=1S/C32H30N2O3S/c1-3-9-24-26(21-10-5-4-6-11-21)27-30(35)23-12-7-8-13-25(23)38-31(27)28(32(33)36)29(24)34-19-18-20-14-16-22(37-2)17-15-20/h4-8,10-17,34H,3,9,18-19H2,1-2H3,(H2,33,36)