N-(heptylcarbamothioyl)-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-(heptylcarbamothioyl)-2-(4-nitrophenoxy)ethanamide Openeye Name: N-(heptylcarbamothioyl)-2-(4-nitrophenoxy)acetamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-(heptylcarbamothioyl)-2-(4-nitrophenoxy)acetamide Traditional Name: N-(heptylthiocarbamoyl)-2-(4-nitrophenoxy)acetamide Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4S/c1-2-3-4-5-6-11-17-16(24)18-15(20)12-23-14-9-7-13(8-10-14)19(21)22/h7-10H,2-6,11-12H2,1H3,(H2,17,18,20,24)