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

Systemtic Name: N-[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]hexanamide Openeye Name: N-[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]hexanamide CAS Name: N-[[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]hexanamide Traditional Name: N-[[(4E)-4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]hexanamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC(=O)C(=C2NC3=CC(=CC(=C3O2)C)C)C=C1

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC(=O)/C(=C/2\NC3=CC(=CC(=C3O2)C)C)/C=C1

InChI

InChI=1S/C22H25N3O3S/c1-4-5-6-7-19(27)25-22(29)23-15-8-9-16(18(26)12-15)21-24-17-11-13(2)10-14(3)20(17)28-21/h8-12,24H,4-7H2,1-3H3,(H2,23,25,27,29)/b21-16+