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

Systemtic Name: N-(4-phenoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-phenoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-phenoxyphenyl)-2-phenylacetamide IUPAC Name: N-(4-phenoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-phenoxyphenyl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C33H27N3O2S2 MolecularWeight: 561.71638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)SC4=CC=CC(=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)SC4=CC=CC(=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C33H27N3O2S2/c37-32(34-26-19-21-29(22-20-26)38-28-16-8-3-9-17-28)31(24-11-4-1-5-12-24)40-30-18-10-15-27(23-30)36-33(39)35-25-13-6-2-7-14-25/h1-23,31H,(H,34,37)(H2,35,36,39)