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

Systemtic Name: 2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-phenyl-acetamide Formula: C23H18FN3OS MolecularWeight: 403.471923

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C(=NC2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H18FN3OS/c24-17-12-10-16(11-13-17)21-14-23(27-20-9-5-4-8-19(20)26-21)29-15-22(28)25-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,25,28)