N-(1,3-benzodioxol-5-yl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C28H23N3O3S2 MolecularWeight: 513.63052

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S2/c32-27(29-22-14-15-24-25(17-22)34-18-33-24)26(19-8-3-1-4-9-19)36-23-13-7-12-21(16-23)31-28(35)30-20-10-5-2-6-11-20/h1-17,26H,18H2,(H,29,32)(H2,30,31,35)