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

Systemtic Name: 2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[[5-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O3S/c17-11-5-3-4-10(8-11)15-20-21-16(24-15)25-9-13(22)19-12-6-1-2-7-18-14(12)23/h3-5,8,12H,1-2,6-7,9H2,(H,18,23)(H,19,22)