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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S2/c26-21(23-17-9-10-19-20(12-17)28-14-27-19)13-30-18-8-4-7-16(11-18)25-22(29)24-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,23,26)(H2,24,25,29)