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

Systemtic Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-tert-butyl-N-(phenylmethyl)propanamide Openeye Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-benzyl-N-tert-butyl-propanamide CAS Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-tert-butyl-N-(phenylmethyl)propanamide IUPAC Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-benzyl-N-tert-butylpropanamide Traditional Name: N-benzyl-N-tert-butyl-3-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]propionamide Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C25H26N2O4S2/c1-25(2,3)27(15-17-7-5-4-6-8-17)22(28)11-12-26-23(29)21(33-24(26)32)14-18-9-10-19-20(13-18)31-16-30-19/h4-10,13-14H,11-12,15-16H2,1-3H3/b21-14-