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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C19H18IN3OS2 MolecularWeight: 495.40019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18IN3OS2/c1-19(2,3)17(24)23-18(25)22-13-9-8-11(20)10-12(13)16-21-14-6-4-5-7-15(14)26-16/h4-10H,1-3H3,(H2,22,23,24,25)