ethyl 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[(1-homoveratrylpyrazol-4-yl)thiocarbamoylamino]butyric acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H28N4O4S/c1-4-28-19(25)6-5-10-21-20(29)23-16-13-22-24(14-16)11-9-15-7-8-17(26-2)18(12-15)27-3/h7-8,12-14H,4-6,9-11H2,1-3H3,(H2,21,23,29)