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

Systemtic Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-bromanyl-benzamide Openeye Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-bromo-benzamide CAS Name: N-[[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-bromobenzamide IUPAC Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-bromobenzamide Traditional Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-bromo-benzamide Formula: C21H14BrN3O3S MolecularWeight: 468.32316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4O3)C(=O)C=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4O3)C(=O)C=C2)Br

InChI

InChI=1S/C21H14BrN3O3S/c22-15-6-2-1-5-13(15)19(27)25-21(29)23-12-9-10-17(26)14(11-12)20-24-16-7-3-4-8-18(16)28-20/h1-11,24H,(H2,23,25,27,29)