N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C23H17BrIN3O2S2 MolecularWeight: 638.33845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H17BrIN3O2S2/c1-12-9-13(24)10-16(20(12)30-2)21(29)28-23(31)27-17-8-7-14(25)11-15(17)22-26-18-5-3-4-6-19(18)32-22/h3-11H,1-2H3,(H2,27,28,29,31)