propan-2-yl 4-[(4-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[(4-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate Openeye Name: isopropyl 4-[(4-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromo-1-naphthoyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C3=CC=CC=C32)Br

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C3=CC=CC=C32)Br

InChI

InChI=1S/C22H19BrN2O3S/c1-13(2)28-21(27)14-7-9-15(10-8-14)24-22(29)25-20(26)18-11-12-19(23)17-6-4-3-5-16(17)18/h3-13H,1-2H3,(H2,24,25,26,29)