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

Systemtic Name: N-(1-adamantyl)-4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide Openeye Name: N-(1-adamantyl)-4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanamide CAS Name: N-(1-adamantyl)-4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanamide IUPAC Name: N-(1-adamantyl)-4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide Traditional Name: N-(1-adamantyl)-4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]butyramide Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCN4C(=O)C(=CC5=CC6=C(C=C5)OCO6)SC4=S

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCN4C(=O)/C(=C/C5=CC6=C(C=C5)OCO6)/SC4=S

InChI

InChI=1S/C25H28N2O4S2/c28-22(26-25-11-16-6-17(12-25)8-18(7-16)13-25)2-1-5-27-23(29)21(33-24(27)32)10-15-3-4-19-20(9-15)31-14-30-19/h3-4,9-10,16-18H,1-2,5-8,11-14H2,(H,26,28)/b21-10-