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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]-3-iodo-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-3-iodobenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]-3-iodo-benzamide Formula: C21H13ClIN3OS2 MolecularWeight: 549.83489

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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=CC(=CC=C4)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClIN3OS2/c22-16-11-14(24-21(28)26-19(27)12-4-3-5-13(23)10-12)8-9-15(16)20-25-17-6-1-2-7-18(17)29-20/h1-11H,(H2,24,26,27,28)