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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H18IN3O2S2/c1-13-6-5-7-15(20(13)29-2)21(28)27-23(30)26-17-11-10-14(24)12-16(17)22-25-18-8-3-4-9-19(18)31-22/h3-12H,1-2H3,(H2,26,27,28,30)