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

Systemtic Name: N-[[(4E)-4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]hexanamide Openeye Name: N-[[(4E)-4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]hexanamide CAS Name: N-[[[(4E)-4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[(4E)-4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]hexanamide Traditional Name: N-[[(4E)-4-(5-ethyl-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=C(O2)C=CC(=C3)CC)C=C1

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC(=O)/C(=C/2\NC3=C(O2)C=CC(=C3)CC)/C=C1

InChI

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