N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C23H17N5O2S2 MolecularWeight: 459.54338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)C

InChI

InChI=1S/C23H17N5O2S2/c1-12-8-13(2)20-19(9-12)25-22(30-20)15-4-3-5-16(10-15)24-23(31)26-21(29)14-6-7-17-18(11-14)28-32-27-17/h3-11H,1-2H3,(H2,24,26,29,31)