2-[2-[1-(3,4-dimethoxyphenyl)ethylamino]ethyl]-9-oxidanylidene-1-phenyl-thioxanthene-4-carboxamide

Systemtic Name: 2-[2-[1-(3,4-dimethoxyphenyl)ethylamino]ethyl]-9-oxidanylidene-1-phenyl-thioxanthene-4-carboxamide Openeye Name: 2-[2-[1-(3,4-dimethoxyphenyl)ethylamino]ethyl]-9-oxo-1-phenyl-thioxanthene-4-carboxamide CAS Name: 2-[2-[1-(3,4-dimethoxyphenyl)ethylamino]ethyl]-9-oxo-1-phenyl-4-thioxanthenecarboxamide IUPAC Name: 2-[2-[1-(3,4-dimethoxyphenyl)ethylamino]ethyl]-9-oxo-1-phenylthioxanthene-4-carboxamide Traditional Name: 2-[2-[1-(3,4-dimethoxyphenyl)ethylamino]ethyl]-9-keto-1-phenyl-thioxanthene-4-carboxamide Formula: C32H30N2O4S MolecularWeight: 538.6566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)NCCC2=C(C3=C(C(=C2)C(=O)N)SC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NCCC2=C(C3=C(C(=C2)C(=O)N)SC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C32H30N2O4S/c1-19(21-13-14-25(37-2)26(18-21)38-3)34-16-15-22-17-24(32(33)36)31-29(28(22)20-9-5-4-6-10-20)30(35)23-11-7-8-12-27(23)39-31/h4-14,17-19,34H,15-16H2,1-3H3,(H2,33,36)