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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C18H17N5O2S2/c1-2-4-16(24)19-12-5-3-6-13(10-12)20-18(26)21-17(25)11-7-8-14-15(9-11)23-27-22-14/h3,5-10H,2,4H2,1H3,(H,19,24)(H2,20,21,25,26)