ethyl 3-[[2-[3-[(4-nitrophenyl)carbonylamino]propanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[3-[(4-nitrophenyl)carbonylamino]propanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O6S/c1-2-30-17(26)9-11-21-19(31)23-13-3-12-22(23)16(25)8-10-20-18(27)14-4-6-15(7-5-14)24(28)29/h4-7H,2-3,8-13H2,1H3,(H,20,27)(H,21,31)