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

Systemtic Name: butyl 4-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(3-isobutoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-5-13-28-22(27)17-9-11-19(12-10-17)24-23(30)25-21(26)18-7-6-8-20(14-18)29-15-16(2)3/h6-12,14,16H,4-5,13,15H2,1-3H3,(H2,24,25,26,30)