1-(tert-butylcarbamothioylamino)-3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea

Systemtic Name: 1-(tert-butylcarbamothioylamino)-3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea Openeye Name: 1-(tert-butylcarbamothioylamino)-3-[3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]urea CAS Name: 1-[[(tert-butylamino)-sulfanylidenemethyl]amino]-3-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]urea IUPAC Name: 1-(tert-butylcarbamothioylamino)-3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea Traditional Name: 1-(tert-butylthiocarbamoylamino)-3-[3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]urea Formula: C16H20ClN5O2S MolecularWeight: 381.8803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)NC(=O)NNC(=S)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)NC(=O)NNC(=S)NC(C)(C)C

InChI

InChI=1S/C16H20ClN5O2S/c1-9-12(13(22-24-9)10-7-5-6-8-11(10)17)18-14(23)20-21-15(25)19-16(2,3)4/h5-8H,1-4H3,(H2,18,20,23)(H2,19,21,25)