propyl 4-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(5-bromo-2-isopentyloxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-bromo-2-(3-methylbutoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-isoamoxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C23H27BrN2O4S MolecularWeight: 507.44048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O4S/c1-4-12-30-22(28)16-5-8-18(9-6-16)25-23(31)26-21(27)19-14-17(24)7-10-20(19)29-13-11-15(2)3/h5-10,14-15H,4,11-13H2,1-3H3,(H2,25,26,27,31)