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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]ethanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]acetamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]acetamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]acetamide Formula: C16H12IN3OS2 MolecularWeight: 453.32045

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=C(C=C(C=C1)I)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)NC(=S)NC1=C(C=C(C=C1)I)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H12IN3OS2/c1-9(21)18-16(22)20-12-7-6-10(17)8-11(12)15-19-13-4-2-3-5-14(13)23-15/h2-8H,1H3,(H2,18,20,21,22)