N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C18H16ClN5O2S2 MolecularWeight: 433.93494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)Cl

InChI

InChI=1S/C18H16ClN5O2S2/c19-13-10-12(2-4-16(13)24-5-7-26-8-6-24)20-18(27)21-17(25)11-1-3-14-15(9-11)23-28-22-14/h1-4,9-10H,5-8H2,(H2,20,21,25,27)