ethyl 4-[[1-(4-cyanobutyl)pyrazol-4-yl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[[1-(4-cyanobutyl)pyrazol-4-yl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[1-(4-cyanobutyl)pyrazol-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-(4-cyanobutyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-cyanobutyl)pyrazol-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[1-(4-cyanobutyl)pyrazol-4-yl]thiocarbamoylamino]butyric acid ethyl ester Formula: C15H23N5O2S MolecularWeight: 337.44042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CCCCC#N

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CCCCC#N

InChI

InChI=1S/C15H23N5O2S/c1-2-22-14(21)7-6-9-17-15(23)19-13-11-18-20(12-13)10-5-3-4-8-16/h11-12H,2-7,9-10H2,1H3,(H2,17,19,23)