N-(1,3-benzodioxol-5-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[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-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-phenyl-2-[[4-(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=C(C=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=C(C=C4)NC(=S)NC5=CC=CC=C5

InChI

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