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

Systemtic Name: N-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[3-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C23H14N4O3S2 MolecularWeight: 458.51226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C23H14N4O3S2/c28-21(15-8-9-18-19(12-15)27-32-26-18)25-23(31)24-16-6-3-5-13(10-16)17-11-14-4-1-2-7-20(14)30-22(17)29/h1-12H,(H2,24,25,28,31)