ethyl 3-[[2-[3-(1H-benzimidazol-2-yl)propanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[3-(1H-benzimidazol-2-yl)propanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[3-(1H-benzimidazol-2-yl)propanoyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[3-(1H-benzimidazol-2-yl)-1-oxopropyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(1H-benzimidazol-2-yl)propanoyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[3-(1H-benzimidazol-2-yl)propanoyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H25N5O3S/c1-2-27-18(26)10-11-20-19(28)24-13-5-12-23(24)17(25)9-8-16-21-14-6-3-4-7-15(14)22-16/h3-4,6-7H,2,5,8-13H2,1H3,(H,20,28)(H,21,22)