3-bromanyl-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C27H26BrN3O3S MolecularWeight: 552.48264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C)Br

InChI

InChI=1S/C27H26BrN3O3S/c1-5-33-22-12-8-17(14-20(22)28)24(32)31-26(35)29-19-11-13-23-21(15-19)30-25(34-23)16-6-9-18(10-7-16)27(2,3)4/h6-15H,5H2,1-4H3,(H2,29,31,32,35)