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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C21H12Cl2IN3OS2 MolecularWeight: 584.27995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl)Cl

InChI

InChI=1S/C21H12Cl2IN3OS2/c22-15-8-5-11(24)9-14(15)19(28)27-21(29)25-12-6-7-13(16(23)10-12)20-26-17-3-1-2-4-18(17)30-20/h1-10H,(H2,25,27,28,29)