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

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

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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(=CC=C4)Br)O2

Isomeric SMILES

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

InChI

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