N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C29H25N3O3S2 MolecularWeight: 527.6571

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3S2/c33-28(30-23-14-15-25-26(19-23)35-17-16-34-25)27(20-8-3-1-4-9-20)37-24-13-7-12-22(18-24)32-29(36)31-21-10-5-2-6-11-21/h1-15,18-19,27H,16-17H2,(H,30,33)(H2,31,32,36)