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

Systemtic Name: N-[[3-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-piperonylamide Formula: C22H14ClN3O5S MolecularWeight: 467.88166

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC(=C4NC5=C(O4)C=CC(=C5)Cl)C(=O)C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC(=C4NC5=C(O4)C=CC(=C5)Cl)C(=O)C=C3

InChI

InChI=1S/C22H14ClN3O5S/c23-12-2-6-17-15(8-12)25-21(31-17)14-9-13(3-4-16(14)27)24-22(32)26-20(28)11-1-5-18-19(7-11)30-10-29-18/h1-9,25H,10H2,(H2,24,26,28,32)