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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

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