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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C19H18ClN5OS2 MolecularWeight: 431.96212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)Cl

InChI

InChI=1S/C19H18ClN5OS2/c20-14-11-13(5-7-17(14)25-8-2-1-3-9-25)21-19(27)22-18(26)12-4-6-15-16(10-12)24-28-23-15/h4-7,10-11H,1-3,8-9H2,(H2,21,22,26,27)