ethyl 3-[[2-[(3-ethanoylphenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[(3-ethanoylphenyl)carbamoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[(3-acetylphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(3-acetylanilino)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3-acetylphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[(3-acetylphenyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H24N4O4S/c1-3-26-16(24)8-9-19-18(27)22-11-5-10-21(22)17(25)20-15-7-4-6-14(12-15)13(2)23/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,19,27)(H,20,25)