4-butoxy-N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[(3E)-3-(5,7-dimethyl-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=CC(=CC(=C4O3)C)C)C(=O)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=CC(=CC(=C4O3)C)C)/C(=O)C=C2

InChI

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