ethyl 3-[[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(4-bromobenzoyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(4-bromophenyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-bromobenzoyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(4-bromobenzoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C16H20BrN3O3S MolecularWeight: 414.3173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O3S/c1-2-23-14(21)8-9-18-16(24)20-11-3-10-19(20)15(22)12-4-6-13(17)7-5-12/h4-7H,2-3,8-11H2,1H3,(H,18,24)