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

Systemtic Name: N-[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-tert-butylphenoxy)ethanamide Openeye Name: N-[[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-tert-butylphenoxy)acetamide CAS Name: N-[[[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(4-tert-butylphenoxy)acetamide IUPAC Name: N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-tert-butylphenoxy)acetamide Traditional Name: N-[[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-(4-tert-butylphenoxy)acetamide Formula: C26H24BrN3O4S MolecularWeight: 554.45546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrN3O4S/c1-26(2,3)16-5-8-18(9-6-16)33-14-23(32)30-25(35)28-17-7-11-22-20(13-17)29-24(34-22)15-4-10-21(31)19(27)12-15/h4-13,29H,14H2,1-3H3,(H2,28,30,32,35)