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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C18H16ClN5OS2 MolecularWeight: 417.93554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)Cl

InChI

InChI=1S/C18H16ClN5OS2/c19-13-10-12(4-6-16(13)24-7-1-2-8-24)20-18(26)21-17(25)11-3-5-14-15(9-11)23-27-22-14/h3-6,9-10H,1-2,7-8H2,(H2,20,21,25,26)