N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-piperonylamide Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)O2)C

InChI

InChI=1S/C24H19N3O5S/c1-12-7-13(2)21-17(8-12)26-23(32-21)16-5-4-15(10-18(16)28)25-24(33)27-22(29)14-3-6-19-20(9-14)31-11-30-19/h3-10,26H,11H2,1-2H3,(H2,25,27,29,33)