ethyl 4-[[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-(3-methoxy-3-methylbutyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[1-(3-methoxy-3-methyl-butyl)pyrazol-4-yl]thiocarbamoylamino]butyric acid ethyl ester Formula: C16H28N4O3S MolecularWeight: 356.48352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CCC(C)(C)OC

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CCC(C)(C)OC

InChI

InChI=1S/C16H28N4O3S/c1-5-23-14(21)7-6-9-17-15(24)19-13-11-18-20(12-13)10-8-16(2,3)22-4/h11-12H,5-10H2,1-4H3,(H2,17,19,24)