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

Systemtic Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C22H15N5O2S2 MolecularWeight: 445.5168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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