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

Systemtic Name: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-phenethylbutanamide IUPAC Name: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]-N-phenethyl-butyramide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S2/c26-21(24-11-10-16-5-2-1-3-6-16)7-4-12-25-22(27)20(31-23(25)30)14-17-8-9-18-19(13-17)29-15-28-18/h1-3,5-6,8-9,13-14H,4,7,10-12,15H2,(H,24,26)/b20-14-