2-[3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-propoxyphenyl)ethanamide

Systemtic Name: 2-[3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-propoxyphenyl)ethanamide Openeye Name: 2-[3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide CAS Name: 2-[3-[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propyl]-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide IUPAC Name: 2-[3-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide Traditional Name: 2-[3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-5-keto-1-phenyl-2-thioxo-imidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide Formula: C28H32N6O5S MolecularWeight: 564.65588

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C)C4=CC=CC=C4

InChI

InChI=1S/C28H32N6O5S/c1-4-17-39-23-13-11-21(12-14-23)29-25(35)18-24-27(36)33(22-9-6-5-7-10-22)28(40)31(24)15-8-16-32-20(3)26(34(37)38)19(2)30-32/h5-7,9-14,24H,4,8,15-18H2,1-3H3,(H,29,35)