N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-phenylsulfanyl-propanamide

Systemtic Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-phenylsulfanyl-propanamide Openeye Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethyl]-2-phenylsulfanyl-propanamide CAS Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethyl]-2-(phenylthio)propanamide IUPAC Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-phenylsulfanylpropanamide Traditional Name: N-[2-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]ethyl]-2-(phenylthio)propionamide Formula: C22H20N2O4S3 MolecularWeight: 472.6002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S)SC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCCN1C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/SC1=S)SC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S3/c1-14(30-16-5-3-2-4-6-16)20(25)23-9-10-24-21(26)19(31-22(24)29)12-15-7-8-17-18(11-15)28-13-27-17/h2-8,11-12,14H,9-10,13H2,1H3,(H,23,25)/b19-12+