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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S2/c27-22(24-18-9-10-20-21(14-18)29-12-11-28-20)15-31-19-8-4-7-17(13-19)26-23(30)25-16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2,(H,24,27)(H2,25,26,30)