2-ethyl-3-[3-(4-methoxyphenyl)propylamino]-9-oxidanylidene-1-phenyl-thioxanthene-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=CC=CC=C4S2)C(=O)N)NCCCC5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=CC=CC=C4S2)C(=O)N)NCCCC5=CC=C(C=C5)OC

InChI

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