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

Systemtic Name: N-[[4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-piperonylamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)N2

InChI

InChI=1S/C25H21N3O5S/c1-13(2)14-3-7-20-18(9-14)27-24(33-20)17-11-16(5-6-19(17)29)26-25(34)28-23(30)15-4-8-21-22(10-15)32-12-31-21/h3-11,13,27H,12H2,1-2H3,(H2,26,28,30,34)