N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H12ClN5O2S2 MolecularWeight: 465.93528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)C4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C21H12ClN5O2S2/c22-13-5-7-18-17(10-13)24-20(29-18)12-2-1-3-14(8-12)23-21(30)25-19(28)11-4-6-15-16(9-11)27-31-26-15/h1-10H,(H2,23,25,28,30)