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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]propanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]propanamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]propanamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]propionamide Formula: C17H14IN3OS2 MolecularWeight: 467.34703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14IN3OS2/c1-2-15(22)21-17(23)20-12-8-7-10(18)9-11(12)16-19-13-5-3-4-6-14(13)24-16/h3-9H,2H2,1H3,(H2,20,21,22,23)