N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-iodanyl-benzamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-iodanyl-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-iodo-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-iodobenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-4-iodobenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-4-iodo-benzamide Formula: C18H17ClIN3OS MolecularWeight: 485.76955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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