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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br)N2

InChI

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