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

Systemtic Name: propyl 4-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(5-bromo-2-phenethyloxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(5-bromo-2-phenethyloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-phenethyloxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C26H25BrN2O4S MolecularWeight: 541.4567

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H25BrN2O4S/c1-2-15-33-25(31)19-8-11-21(12-9-19)28-26(34)29-24(30)22-17-20(27)10-13-23(22)32-16-14-18-6-4-3-5-7-18/h3-13,17H,2,14-16H2,1H3,(H2,28,29,30,34)