N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromanyl-2-chloranyl-benzamide

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromo-2-chloro-benzamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-5-bromo-2-chloro-benzamide Formula: C17H12BrClN4O3S MolecularWeight: 467.72418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C17H12BrClN4O3S/c1-8(24)20-10-3-5-13-14(7-10)26-16(21-13)23-17(27)22-15(25)11-6-9(18)2-4-12(11)19/h2-7H,1H3,(H,20,24)(H2,21,22,23,25,27)