N-(4-acetamidophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(4-acetamidophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C29H26N4O2S2 MolecularWeight: 526.67234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C29H26N4O2S2/c1-20(34)30-23-15-17-24(18-16-23)31-28(35)27(21-9-4-2-5-10-21)37-26-14-8-13-25(19-26)33-29(36)32-22-11-6-3-7-12-22/h2-19,27H,1H3,(H,30,34)(H,31,35)(H2,32,33,36)