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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-fluorobenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-2-fluoro-benzamide Formula: C18H17ClFN3OS MolecularWeight: 377.863483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C18H17ClFN3OS/c19-14-11-12(7-8-16(14)23-9-3-4-10-23)21-18(25)22-17(24)13-5-1-2-6-15(13)20/h1-2,5-8,11H,3-4,9-10H2,(H2,21,22,24,25)