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

Systemtic Name: (E)-N-[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C23H16BrN3O3S MolecularWeight: 494.36044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3

InChI

InChI=1S/C23H16BrN3O3S/c24-17-12-15(7-9-19(17)28)22-26-18-13-16(8-10-20(18)30-22)25-23(31)27-21(29)11-6-14-4-2-1-3-5-14/h1-13,26H,(H2,25,27,29,31)/b11-6+,22-15?