3-iodanyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3-iodo-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-iodo-N-[(4-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C18H18IN3OS MolecularWeight: 451.32449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18IN3OS/c19-14-5-3-4-13(12-14)17(23)21-18(24)20-15-6-8-16(9-7-15)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2,(H2,20,21,23,24)