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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-2-(2-methylphenoxy)acetamide Formula: C23H18IN3O2S2 MolecularWeight: 559.44239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H18IN3O2S2/c1-14-6-2-4-8-19(14)29-13-21(28)27-23(30)26-17-11-10-15(24)12-16(17)22-25-18-7-3-5-9-20(18)31-22/h2-12H,13H2,1H3,(H2,26,27,28,30)