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

Systemtic Name: propyl 4-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-bromo-4-propoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-propoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-bromo-4-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-propoxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC)Br

InChI

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