ethyl 3-[[2-(naphthalen-1-ylcarbamoyl)pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(naphthalen-1-ylcarbamoyl)pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(1-naphthylcarbamoyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(1-naphthalenylamino)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(naphthalen-1-ylcarbamoyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(1-naphthylcarbamoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H24N4O3S/c1-2-27-18(25)11-12-21-20(28)24-14-6-13-23(24)19(26)22-17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10H,2,6,11-14H2,1H3,(H,21,28)(H,22,26)