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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C18H16ClN5O2S2 MolecularWeight: 433.93494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O2S2/c1-2-3-16(25)20-11-5-6-12(19)14(9-11)21-18(27)22-17(26)10-4-7-13-15(8-10)24-28-23-13/h4-9H,2-3H2,1H3,(H,20,25)(H2,21,22,26,27)