2-bromanyl-3,5-bis(iodanyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-3,5-bis(iodanyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 2-bromo-3,5-diiodo-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 2-bromo-3,5-diiodo-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-3,5-diiodo-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-bromo-3,5-diiodo-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C18H16BrI2N3OS MolecularWeight: 656.11708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3Br)I)I

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3Br)I)I

InChI

InChI=1S/C18H16BrI2N3OS/c19-16-12(9-11(20)10-13(16)21)17(25)23-18(26)22-14-5-1-2-6-15(14)24-7-3-4-8-24/h1-2,5-6,9-10H,3-4,7-8H2,(H2,22,23,25,26)