propyl 4-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(5-bromo-2-isopropoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-propan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(5-bromo-2-propan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-isopropoxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4S/c1-4-11-27-20(26)14-5-8-16(9-6-14)23-21(29)24-19(25)17-12-15(22)7-10-18(17)28-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,23,24,25,29)