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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide Formula: C24H19BrFN3O2S MolecularWeight: 512.393963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C24H19BrFN3O2S/c1-31-17-6-4-5-15(11-17)22-13-24(29-21-8-3-2-7-20(21)27-22)32-14-23(30)28-19-10-9-16(25)12-18(19)26/h2-12H,13-14H2,1H3,(H,28,30)