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

Systemtic Name: 4-butoxy-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)CC)C(=O)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=C(O3)C=CC(=C4)CC)/C(=O)C=C2

InChI

InChI=1S/C27H27N3O4S/c1-3-5-14-33-20-10-7-18(8-11-20)25(32)30-27(35)28-19-9-12-23(31)21(16-19)26-29-22-15-17(4-2)6-13-24(22)34-26/h6-13,15-16,29H,3-5,14H2,1-2H3,(H2,28,30,32,35)/b26-21+