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

Systemtic Name: ethyl 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]carbamothioylamino]benzoate Openeye Name: ethyl 3-[[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]carbamothioylamino]benzoate CAS Name: 3-[[[[1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]carbamothioylamino]benzoate Traditional Name: 3-[[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=CN(N=C2)CC3=C(ON=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=CN(N=C2)CC3=C(ON=C3C)C

InChI

InChI=1S/C19H21N5O3S/c1-4-26-18(25)14-6-5-7-15(8-14)21-19(28)22-16-9-20-24(10-16)11-17-12(2)23-27-13(17)3/h5-10H,4,11H2,1-3H3,(H2,21,22,28)