4-butoxy-N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(5-chloropiazthiol-4-yl)thiocarbamoyl]benzamide Formula: C18H17ClN4O2S2 MolecularWeight: 420.93618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)Cl

InChI

InChI=1S/C18H17ClN4O2S2/c1-2-3-10-25-12-6-4-11(5-7-12)17(24)21-18(26)20-15-13(19)8-9-14-16(15)23-27-22-14/h4-9H,2-3,10H2,1H3,(H2,20,21,24,26)