N-(4-ethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-ethoxyphenyl)-2-phenylacetamide IUPAC Name: N-(4-ethoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: 2-phenyl-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]-N-p-phenetyl-acetamide Formula: C29H27N3O2S2 MolecularWeight: 513.67358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

InChI

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