ethyl 3-[[2-[2-(4-chlorophenyl)ethylcarbamothioyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(4-chlorophenyl)ethylcarbamothioyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[2-(4-chlorophenyl)ethylcarbamothioyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(4-chlorophenyl)ethylcarbamothioyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[2-(4-chlorophenyl)ethylthiocarbamoyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C18H25ClN4O2S2 MolecularWeight: 428.9997

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN4O2S2/c1-2-25-16(24)9-11-21-18(27)23-13-3-12-22(23)17(26)20-10-8-14-4-6-15(19)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,20,26)(H,21,27)