6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-bromophenyl)hexanamide

Systemtic Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-bromophenyl)hexanamide Openeye Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(3-bromophenyl)hexanamide CAS Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(3-bromophenyl)hexanamide IUPAC Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-bromophenyl)hexanamide Traditional Name: N-(3-bromophenyl)-6-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]hexanamide Formula: C23H21BrN2O4S2 MolecularWeight: 533.45784

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H21BrN2O4S2/c24-16-5-4-6-17(13-16)25-21(27)7-2-1-3-10-26-22(28)20(32-23(26)31)12-15-8-9-18-19(11-15)30-14-29-18/h4-6,8-9,11-13H,1-3,7,10,14H2,(H,25,27)/b20-12-