N-(2-ethoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2-ethoxyphenyl)-2-phenylacetamide IUPAC Name: N-(2-ethoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-o-phenetyl-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C29H27N3O2S2 MolecularWeight: 513.67358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O2S2/c1-2-34-26-19-10-9-18-25(26)32-28(33)27(21-12-5-3-6-13-21)36-24-17-11-16-23(20-24)31-29(35)30-22-14-7-4-8-15-22/h3-20,27H,2H2,1H3,(H,32,33)(H2,30,31,35)