2-chloranyl-5-iodanyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-5-iodanyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 2-chloro-5-iodo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[(4-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C18H17ClIN3OS MolecularWeight: 485.76955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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