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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C22H15BrIN3O2S2 MolecularWeight: 624.31187

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C22H15BrIN3O2S2/c1-29-18-9-6-12(10-15(18)23)20(28)27-22(30)26-16-8-7-13(24)11-14(16)21-25-17-4-2-3-5-19(17)31-21/h2-11H,1H3,(H2,26,27,28,30)