propyl 4-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-[(1-bromo-2-naphthyl)oxy]acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1-bromo-2-naphthoxy)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C23H21BrN2O4S MolecularWeight: 501.39284

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C23H21BrN2O4S/c1-2-13-29-22(28)16-7-10-17(11-8-16)25-23(31)26-20(27)14-30-19-12-9-15-5-3-4-6-18(15)21(19)24/h3-12H,2,13-14H2,1H3,(H2,25,26,27,31)