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

Systemtic Name: propyl 4-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-isopentyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(3-isoamoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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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)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-13-29-22(27)17-8-10-19(11-9-17)24-23(30)25-21(26)18-6-5-7-20(15-18)28-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H2,24,25,26,30)