2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-ketoazepan-3-yl)acetamide Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H17BrN4O3S/c17-11-6-4-10(5-7-11)15-20-21-16(24-15)25-9-13(22)19-12-3-1-2-8-18-14(12)23/h4-7,12H,1-3,8-9H2,(H,18,23)(H,19,22)