ethyl 4-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)COC2=C(C=CC(=C2)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)COC2=C(C=CC(=C2)C)C(C)C

InChI

InChI=1S/C22H27N3O4S/c1-5-28-21(27)16-7-9-17(10-8-16)23-22(30)25-24-20(26)13-29-19-12-15(4)6-11-18(19)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,26)(H2,23,25,30)