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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C18H16IN3OS2 MolecularWeight: 481.37361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16IN3OS2/c1-10(2)16(23)22-18(24)21-13-8-7-11(19)9-12(13)17-20-14-5-3-4-6-15(14)25-17/h3-10H,1-2H3,(H2,21,22,23,24)