ethyl 4-[[1-(2-phenylmethoxyethyl)pyrazol-4-yl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[[1-(2-phenylmethoxyethyl)pyrazol-4-yl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[1-(2-benzyloxyethyl)pyrazol-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-(2-phenylmethoxyethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-phenylmethoxyethyl)pyrazol-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[1-(2-benzoxyethyl)pyrazol-4-yl]thiocarbamoylamino]butyric acid ethyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CCOCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CCOCC2=CC=CC=C2

InChI

InChI=1S/C19H26N4O3S/c1-2-26-18(24)9-6-10-20-19(27)22-17-13-21-23(14-17)11-12-25-15-16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-12,15H2,1H3,(H2,20,22,27)