N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-2-bromanyl-benzamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-2-bromanyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-2-bromo-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-2-bromobenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-2-bromobenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-2-bromo-benzamide Formula: C21H13BrIN3OS2 MolecularWeight: 594.28589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C21H13BrIN3OS2/c22-15-6-2-1-5-13(15)19(27)26-21(28)25-16-10-9-12(23)11-14(16)20-24-17-7-3-4-8-18(17)29-20/h1-11H,(H2,25,26,27,28)