N-[[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]carbamothioyl]-2-bromanyl-benzamide

Systemtic Name: N-[[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]carbamothioyl]-2-bromanyl-benzamide Openeye Name: N-[[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]carbamothioyl]-2-bromo-benzamide CAS Name: N-[[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-bromobenzamide IUPAC Name: N-[[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]carbamothioyl]-2-bromobenzamide Traditional Name: N-[[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]thiocarbamoyl]-2-bromo-benzamide Formula: C17H14BrN5O2S2 MolecularWeight: 464.35936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3N2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3N2)Br

InChI

InChI=1S/C17H14BrN5O2S2/c18-11-6-2-1-5-10(11)15(25)21-16(26)23-22-14(24)9-27-17-19-12-7-3-4-8-13(12)20-17/h1-8H,9H2,(H,19,20)(H,22,24)(H2,21,23,25,26)