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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C21H13ClIN3OS2 MolecularWeight: 549.83489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

InChI

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