3-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 3-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-[4-(azepan-1-yl)-4-oxo-butyl]-5-(1,3-benzodioxol-5-ylmethylene)-2-thioxo-thiazolidin-4-one CAS Name: 3-[4-(1-azepanyl)-4-oxobutyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-[4-(azepan-1-yl)-4-oxobutyl]-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-[4-(azepan-1-yl)-4-keto-butyl]-5-piperonylidene-2-thioxo-thiazolidin-4-one Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

InChI

InChI=1S/C21H24N2O4S2/c24-19(22-9-3-1-2-4-10-22)6-5-11-23-20(25)18(29-21(23)28)13-15-7-8-16-17(12-15)27-14-26-16/h7-8,12-13H,1-6,9-11,14H2