N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C19H17BrN4O4S MolecularWeight: 477.33168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(O2)C=C(C=C3)NC(=O)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(O2)C=C(C=C3)NC(=O)C)Br

InChI

InChI=1S/C19H17BrN4O4S/c1-3-27-15-7-4-11(8-13(15)20)17(26)23-19(29)24-18-22-14-6-5-12(21-10(2)25)9-16(14)28-18/h4-9H,3H2,1-2H3,(H,21,25)(H2,22,23,24,26,29)