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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H13N5OS3 MolecularWeight: 447.55582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H13N5OS3/c27-19(12-9-10-15-17(11-12)26-30-25-15)24-21(28)23-14-6-2-1-5-13(14)20-22-16-7-3-4-8-18(16)29-20/h1-11H,(H2,23,24,27,28)