ethyl 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]thiocarbamoylamino]butyric acid ethyl ester Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CC2=C(ON=C2C)C

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CC2=C(ON=C2C)C

InChI

InChI=1S/C16H23N5O3S/c1-4-23-15(22)6-5-7-17-16(25)19-13-8-18-21(9-13)10-14-11(2)20-24-12(14)3/h8-9H,4-7,10H2,1-3H3,(H2,17,19,25)