propyl 4-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-bromo-4-butoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-bromo-4-butoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-butoxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC)Br

InChI

InChI=1S/C22H25BrN2O4S/c1-3-5-13-28-19-11-8-16(14-18(19)23)20(26)25-22(30)24-17-9-6-15(7-10-17)21(27)29-12-4-2/h6-11,14H,3-5,12-13H2,1-2H3,(H2,24,25,26,30)