N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[4-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O2S/c22-18-9-5-4-8-17(18)20(27)25-21(28)24-16-12-10-14(11-13-16)19(26)23-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,23,26)(H2,24,25,27,28)