N-(4-ethanoylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide Formula: C25H20FN3O2S MolecularWeight: 445.508603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H20FN3O2S/c1-16(30)17-8-12-20(13-9-17)27-24(31)15-32-25-14-23(18-6-10-19(26)11-7-18)28-21-4-2-3-5-22(21)29-25/h2-13H,14-15H2,1H3,(H,27,31)