N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-iodanyl-benzamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-iodo-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-iodobenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3-iodo-benzamide Formula: C18H17ClIN3OS MolecularWeight: 485.76955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H17ClIN3OS/c19-14-7-4-8-15(16(14)23-9-1-2-10-23)21-18(25)22-17(24)12-5-3-6-13(20)11-12/h3-8,11H,1-2,9-10H2,(H2,21,22,24,25)