N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C22H14ClN5O2S2 MolecularWeight: 479.96186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)Cl

InChI

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