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

Systemtic Name: N-(1-adamantyl)-6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide Openeye Name: N-(1-adamantyl)-6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanamide CAS Name: N-(1-adamantyl)-6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanamide IUPAC Name: N-(1-adamantyl)-6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide Traditional Name: N-(1-adamantyl)-6-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]hexanamide Formula: C27H32N2O4S2 MolecularWeight: 512.68398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCCCN4C(=O)C(=CC5=CC6=C(C=C5)OCO6)SC4=S

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCCCN4C(=O)/C(=C/C5=CC6=C(C=C5)OCO6)/SC4=S

InChI

InChI=1S/C27H32N2O4S2/c30-24(28-27-13-18-8-19(14-27)10-20(9-18)15-27)4-2-1-3-7-29-25(31)23(35-26(29)34)12-17-5-6-21-22(11-17)33-16-32-21/h5-6,11-12,18-20H,1-4,7-10,13-16H2,(H,28,30)/b23-12-