N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O2S/c22-18-8-4-3-7-17(18)19(26)24-21(28)23-16-11-9-15(10-12-16)20(27)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-14H2,(H2,23,24,26,28)