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

Systemtic Name: ethyl 4-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-[(2,3-dimethoxyphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[(1-o-veratrylpyrazol-4-yl)thiocarbamoylamino]butyric acid ethyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C19H26N4O4S/c1-4-27-17(24)9-6-10-20-19(28)22-15-11-21-23(13-15)12-14-7-5-8-16(25-2)18(14)26-3/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3,(H2,20,22,28)