N-(azepan-1-ylcarbothioyl)-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-2-(4-nitrophenoxy)ethanamide Openeye Name: N-(azepane-1-carbothioyl)-2-(4-nitrophenoxy)acetamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-(azepane-1-carbothioyl)-2-(4-nitrophenoxy)acetamide Traditional Name: N-(azepane-1-carbothioyl)-2-(4-nitrophenoxy)acetamide Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c19-14(16-15(23)17-9-3-1-2-4-10-17)11-22-13-7-5-12(6-8-13)18(20)21/h5-8H,1-4,9-11H2,(H,16,19,23)