3-bromanyl-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C25H22BrN3O4S MolecularWeight: 540.42888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=C(C(=C4)C)C)C(=O)C=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=C(C(=C4)C)C)C(=O)C=C2)Br

InChI

InChI=1S/C25H22BrN3O4S/c1-4-32-21-8-5-15(11-18(21)26)23(31)29-25(34)27-16-6-7-20(30)17(12-16)24-28-19-9-13(2)14(3)10-22(19)33-24/h5-12,28H,4H2,1-3H3,(H2,27,29,31,34)