2-[4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(2-bromo-4-fluoro-phenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(2-bromo-4-fluoroanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(2-bromo-4-fluorophenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(2-bromo-4-fluoro-phenyl)thiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C21H24BrFN4OS MolecularWeight: 479.408863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)F)Br)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)F)Br)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24BrFN4OS/c22-18-13-17(23)7-8-19(18)25-21(29)27-10-4-9-26(11-12-27)15-20(28)24-14-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,24,28)(H,25,29)