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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C22H15N5O2S2 MolecularWeight: 445.5168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C22H15N5O2S2/c1-12-6-7-14(21-23-16-4-2-3-5-19(16)29-21)11-17(12)24-22(30)25-20(28)13-8-9-15-18(10-13)27-31-26-15/h2-11H,1H3,(H2,24,25,28,30)