propyl 4-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-isobutoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

InChI

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