N-[[4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-keto-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-piperonylamide Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)O2

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)O2

InChI

InChI=1S/C23H17N3O5S/c1-12-2-6-16-19(8-12)31-22(25-16)15-5-4-14(10-17(15)27)24-23(32)26-21(28)13-3-7-18-20(9-13)30-11-29-18/h2-10,25H,11H2,1H3,(H2,24,26,28,32)