3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]-N-(4-nitrophenyl)propionamide Formula: C20H15N3O6S2 MolecularWeight: 457.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S2/c24-18(21-13-2-4-14(5-3-13)23(26)27)7-8-22-19(25)17(31-20(22)30)10-12-1-6-15-16(9-12)29-11-28-15/h1-6,9-10H,7-8,11H2,(H,21,24)/b17-10-