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

Systemtic Name: N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H13N5O2S2 MolecularWeight: 431.49022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H13N5O2S2/c27-19(13-6-8-15-16(10-13)26-30-25-15)24-21(29)22-14-7-9-18-17(11-14)23-20(28-18)12-4-2-1-3-5-12/h1-11H,(H2,22,24,27,29)