ethyl 3-[[2-[(4-fluorophenyl)methylcarbamoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-fluorophenyl)methylcarbamoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[(4-fluorophenyl)methylcarbamoyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-fluorophenyl)methylcarbamoyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[(4-fluorobenzyl)carbamoyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C17H23FN4O3S MolecularWeight: 382.452923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H23FN4O3S/c1-2-25-15(23)8-9-19-17(26)22-11-3-10-21(22)16(24)20-12-13-4-6-14(18)7-5-13/h4-7H,2-3,8-12H2,1H3,(H,19,26)(H,20,24)