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

Systemtic Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-iodanyl-benzamide Openeye Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-iodo-benzamide CAS Name: N-[[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-iodobenzamide IUPAC Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-iodobenzamide Traditional Name: N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-iodo-benzamide Formula: C21H14IN3O3S MolecularWeight: 515.32363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)I)O2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)I)/O2

InChI

InChI=1S/C21H14IN3O3S/c22-13-7-5-12(6-8-13)19(27)25-21(29)23-14-9-10-15(17(26)11-14)20-24-16-3-1-2-4-18(16)28-20/h1-11,24H,(H2,23,25,27,29)/b20-15+