N-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]-4-fluorobenzamide Traditional Name: N-[(2-chloro-5-pyrrolidinosulfonyl-phenyl)thiocarbamoyl]-4-fluoro-benzamide Formula: C18H17ClFN3O3S2 MolecularWeight: 441.927283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3O3S2/c19-15-8-7-14(28(25,26)23-9-1-2-10-23)11-16(15)21-18(27)22-17(24)12-3-5-13(20)6-4-12/h3-8,11H,1-2,9-10H2,(H2,21,22,24,27)