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

Systemtic Name: 4-ethyl-N-[[(3E)-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 4-ethyl-N-[[[(3E)-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[[(3E)-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)C(C)C)C(=O)C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=C(O3)C=CC(=C4)C(C)C)/C(=O)C=C2

InChI

InChI=1S/C26H25N3O3S/c1-4-16-5-7-17(8-6-16)24(31)29-26(33)27-19-10-11-22(30)20(14-19)25-28-21-13-18(15(2)3)9-12-23(21)32-25/h5-15,28H,4H2,1-3H3,(H2,27,29,31,33)/b25-20+