ethyl 4-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-isopentyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(3-isoamoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

InChI

InChI=1S/C22H26N2O4S/c1-4-27-21(26)16-8-10-18(11-9-16)23-22(29)24-20(25)17-6-5-7-19(14-17)28-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,24,25,29)