7-bromanyl-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide

Systemtic Name: 7-bromanyl-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide Openeye Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-7-bromo-1-benzoxepine-4-carboxamide CAS Name: 7-bromo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepin-4-carboxamide IUPAC Name: 7-bromo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide Traditional Name: N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-7-bromo-1-benzoxepin-4-carboxamide Formula: C16H12BrN3O3S MolecularWeight: 406.25378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NSC(=N1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

Isomeric SMILES

CC(=O)CC1=NSC(=N1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

InChI

InChI=1S/C16H12BrN3O3S/c1-9(21)6-14-18-16(24-20-14)19-15(22)10-4-5-23-13-3-2-12(17)8-11(13)7-10/h2-5,7-8H,6H2,1H3,(H,18,19,20,22)