N-(4-bromanyl-2-chloranyl-phenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C21H21BrClN5OS MolecularWeight: 506.84634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)Br)Cl)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)Br)Cl)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21BrClN5OS/c22-16-7-8-18(17(23)13-16)24-21(30)28-10-4-9-27(11-12-28)14-19-25-20(29-26-19)15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2,(H,24,30)