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

Systemtic Name: 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)-1-benzoxepine-4-carboxamide CAS Name: N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepin-4-carboxamide IUPAC Name: 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)-1-benzoxepin-4-carboxamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NSC(=N1)NC(=O)C2=CC3=CC=CC=C3OC=C2

Isomeric SMILES

CC(=O)CC1=NSC(=N1)NC(=O)C2=CC3=CC=CC=C3OC=C2

InChI

InChI=1S/C16H13N3O3S/c1-10(20)8-14-17-16(23-19-14)18-15(21)12-6-7-22-13-5-3-2-4-11(13)9-12/h2-7,9H,8H2,1H3,(H,17,18,19,21)