N-[[2-(2-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[2-(2-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C22H14ClN5O2S2 MolecularWeight: 479.96186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)Cl

InChI

InChI=1S/C22H14ClN5O2S2/c1-11-2-5-14(15(23)8-11)21-25-18-10-13(4-7-19(18)30-21)24-22(31)26-20(29)12-3-6-16-17(9-12)28-32-27-16/h2-10H,1H3,(H2,24,26,29,31)